2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group.

Hydroxyquinolines

Organic compounds

Organoheterocyclic compounds

Quinolines and derivatives

Hydroxyquinolines

Calculated Property

kind Value Source
logP 2.14 ALOGPS
logS -3.8 ALOGPS
Water Solubility 5.62e-02 g/l ALOGPS
logP 0.98 ChemAxon
IUPAC Name 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c]2,7-naphthyridin-4-amine ChemAxon
Traditional IUPAC Name 2-(imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c]2,7-naphthyridin-4-amine ChemAxon
Molecular Weight 365.3859 ChemAxon
Monoisotopic Weight 365.148789499 ChemAxon
SMILES COCCOC1=C(OC)C=C2C(=C1)N=CC1=C(N)N=C(C=C21)N1C=CN=C1 ChemAxon
Molecular Formula C19H19N5O3 ChemAxon
InChI InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23) ChemAxon
InChIKey InChIKey=QSSGYSRUMIOURP-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 97.31 ChemAxon
Refractivity 111.52 ChemAxon
Polarizability 39.09 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 6.77 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 1 ChemAxon

Target within organism

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