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

C31H29ClN4O7 — CID 45260804

IUPACmethyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-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)n1Cc1ccncc1.Cl
InChIInChI=1S/C31H28N4O7.ClH/c1-38-23-15-20(16-24(39-2)29(23)40-3)26-22-8-9-25(42-18-21-7-5-6-12-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-10-13-32-14-11-19;/h5-16H,17-18H2,1-4H3;1H
InChIKeyKCMWNSNTOAECCZ-UHFFFAOYSA-N
MW605.05 g/mol
LogP4.72
Rot. Bonds10

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

methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (PubChem CID 45260804) has the molecular formula C31H29ClN4O7 and a molecular weight of 605.05 g/mol. Its IUPAC name is methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
PubChem CID45260804
Molecular FormulaC31H29ClN4O7
Molecular Weight605.05 g/mol
Exact Mass604.17
IUPAC Namemethyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-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)n1Cc1ccncc1.Cl
InChIInChI=1S/C31H28N4O7.ClH/c1-38-23-15-20(16-24(39-2)29(23)40-3)26-22-8-9-25(42-18-21-7-5-6-12-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-10-13-32-14-11-19;/h5-16H,17-18H2,1-4H3;1H
InChIKeyKCMWNSNTOAECCZ-UHFFFAOYSA-N
XLogP4.72
TPSA123.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.05
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-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

Related Compounds

Biricodar
CID 3037617
Immunophilins ligand V-10367
CID 9873530
1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
CID 20725894
T-1032 free base
CID 5369
T 0156 hydrochloride
CID 9852041
1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 1-(3-phenyl-propyl)-4-pyridin-2-yl-butyl ester
CID 9960384
1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(2-pyridin-3-yl-ethyl)-butyl ester
CID 20707827
Methyl 2-(4-aminophenyl)-1,2-dihydro-1-oxo-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylate dihydrochloride
CID 22452607
2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-[2,7]naphthyridine-3-carboxylic acid methyl ester
CID 44314914
T0156
CID 5368
Methyl 7-(4-aminophenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
CID 45260807
Methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(pyridin-2-ylmethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
CID 45264572

Frequently Asked Questions

What is the IUPAC name of methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The IUPAC name of methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride (CID 45260804) is methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-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)n1Cc1ccncc1.Cl.
What is the InChIKey of methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
The InChIKey is KCMWNSNTOAECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O7.ClH/c1-38-23-15-20(16-24(39-2)29(23)40-3)26-22-8-9-25(42-18-21-7-5-6-12-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-10-13-32-14-11-19;/h5-16H,17-18H2,1-4H3;1H.
What are the key properties of methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride?
methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride has a molecular weight of 605.05 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-oxo-2-(pyridin-2-ylmethoxy)-7-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 45260804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).