10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.

Aminoquinolines and derivatives

Organic compounds

Organoheterocyclic compounds

Quinolines and derivatives

Aminoquinolines and derivatives

Calculated Property

kind Value Source
logP 2.76 ALOGPS
logS -4.5 ALOGPS
Water Solubility 1.09e-02 g/l ALOGPS
logP 2.41 ChemAxon
IUPAC Name 15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-5,9-diamine ChemAxon
Traditional IUPAC Name 15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-5,9-diamine ChemAxon
Molecular Weight 334.3718 ChemAxon
Monoisotopic Weight 334.14297584 ChemAxon
SMILES COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC ChemAxon
Molecular Formula C19H18N4O2 ChemAxon
InChI InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23) ChemAxon
InChIKey InChIKey=NVINUNQBDNEMSY-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 96.28 ChemAxon
Refractivity 98.03 ChemAxon
Polarizability 36.3 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest basic) 5.96 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 3-phosphoinositide-dependent protein kinase 1 : in Human