methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C23H25N3O6 — CID 20940979

IUPACmethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCCc2ccc(OC)c(OC)c2)c2nc(C)ccc2c1=O
InChIInChI=1S/C23H25N3O6/c1-14-5-7-16-21(28)17(23(29)32-4)12-26(22(16)25-14)13-20(27)24-10-9-15-6-8-18(30-2)19(11-15)31-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyWAQXQWOAVRZAGS-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.87
Rot. Bonds8

About methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 20940979) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID20940979
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Namemethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCCc2ccc(OC)c(OC)c2)c2nc(C)ccc2c1=O
InChIInChI=1S/C23H25N3O6/c1-14-5-7-16-21(28)17(23(29)32-4)12-26(22(16)25-14)13-20(27)24-10-9-15-6-8-18(30-2)19(11-15)31-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyWAQXQWOAVRZAGS-UHFFFAOYSA-N
XLogP1.87
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate 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

N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4285783
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18592071
methyl 7-methyl-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940977
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 91638328
N-benzyl-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929725
N-(3,4-dimethylphenyl)-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929719
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
CID 50793149
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
CID 166272884
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
CID 35028911
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3237686
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20929743

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 20940979) is methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is COC(=O)c1cn(CC(=O)NCCc2ccc(OC)c(OC)c2)c2nc(C)ccc2c1=O.
What is the InChIKey of methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is WAQXQWOAVRZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-14-5-7-16-21(28)17(23(29)32-4)12-26(22(16)25-14)13-20(27)24-10-9-15-6-8-18(30-2)19(11-15)31-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,27).
What are the key properties of methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 439.47 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 20940979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).