ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate

C21H21N3O4 — CID 3244970

IUPACethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H21N3O4/c1-4-24-12-16(18(25)15-11-10-13(3)22-19(15)24)20(26)23-17-9-7-6-8-14(17)21(27)28-5-2/h6-12H,4-5H2,1-3H3,(H,23,26)
InChIKeyUYWZKGOABBATNC-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.15
Rot. Bonds5

About ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate

ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate (PubChem CID 3244970) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate
PubChem CID3244970
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Nameethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H21N3O4/c1-4-24-12-16(18(25)15-11-10-13(3)22-19(15)24)20(26)23-17-9-7-6-8-14(17)21(27)28-5-2/h6-12H,4-5H2,1-3H3,(H,23,26)
InChIKeyUYWZKGOABBATNC-UHFFFAOYSA-N
XLogP3.15
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5373687
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3981051
3-[(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carbonyl)-amino]-benzoic acid methyl ester
CID 651144
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Benzyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 1257338
1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester
CID 1314297
2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 1989267
[2-(2,6-Dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 2344423
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 2437075
1-ethyl-N~3~-(4-methoxyphenethyl)-7-methyl-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide
CID 2470993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate (CID 3244970) is ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
The InChIKey is UYWZKGOABBATNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-4-24-12-16(18(25)15-11-10-13(3)22-19(15)24)20(26)23-17-9-7-6-8-14(17)21(27)28-5-2/h6-12H,4-5H2,1-3H3,(H,23,26).
What are the key properties of ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate?
ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate has a molecular weight of 379.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 3244970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).