methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride

C31H29ClN4O7 — CID 45260807

IUPACmethyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1-c1ccc(N)cc1.Cl
InChIInChI=1S/C31H28N4O7.ClH/c1-38-23-15-18(16-24(39-2)29(23)40-3)26-22-12-13-25(42-17-20-7-5-6-14-33-20)34-27(22)30(36)35(28(26)31(37)41-4)21-10-8-19(32)9-11-21;/h5-16H,17,32H2,1-4H3;1H
InChIKeyXOIYPORDLDIDPY-UHFFFAOYSA-N
MW605.05 g/mol
LogP4.84
Rot. Bonds9

About methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride

methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (PubChem CID 45260807) has the molecular formula C31H29ClN4O7 and a molecular weight of 605.05 g/mol. Its IUPAC name is methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
PubChem CID45260807
Molecular FormulaC31H29ClN4O7
Molecular Weight605.05 g/mol
Exact Mass604.17
IUPAC Namemethyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1-c1ccc(N)cc1.Cl
InChIInChI=1S/C31H28N4O7.ClH/c1-38-23-15-18(16-24(39-2)29(23)40-3)26-22-12-13-25(42-17-20-7-5-6-14-33-20)34-27(22)30(36)35(28(26)31(37)41-4)21-10-8-19(32)9-11-21;/h5-16H,17,32H2,1-4H3;1H
InChIKeyXOIYPORDLDIDPY-UHFFFAOYSA-N
XLogP4.84
TPSA137.02 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.05
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The IUPAC name of methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (CID 45260807) is methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride is COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1-c1ccc(N)cc1.Cl.
What is the InChIKey of methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The InChIKey is XOIYPORDLDIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O7.ClH/c1-38-23-15-18(16-24(39-2)29(23)40-3)26-22-12-13-25(42-17-20-7-5-6-14-33-20)34-27(22)30(36)35(28(26)31(37)41-4)21-10-8-19(32)9-11-21;/h5-16H,17,32H2,1-4H3;1H.
What are the key properties of methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride has a molecular weight of 605.05 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 45260807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).