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

C19H16ClN3O4 — CID 18592071

IUPACmethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H16ClN3O4/c1-11-7-8-12-17(25)13(19(26)27-2)9-23(18(12)21-11)10-16(24)22-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyHLPVAKRLLIGAGV-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.78
Rot. Bonds4

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

methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 18592071) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID18592071
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Namemethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H16ClN3O4/c1-11-7-8-12-17(25)13(19(26)27-2)9-23(18(12)21-11)10-16(24)22-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyHLPVAKRLLIGAGV-UHFFFAOYSA-N
XLogP2.78
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891
N-(2-chlorophenyl)-2-[3-(2-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929862
methyl 1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940951
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940970
N-(2-chloro-4-methylphenyl)-2-[3-(2-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929871
methyl 7-methyl-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940977
ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate
CID 16804712
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 20929612
ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940896
ethyl 2-[[2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 20929680
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-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 18592071) is methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is COC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O.
What is the InChIKey of methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is HLPVAKRLLIGAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-11-7-8-12-17(25)13(19(26)27-2)9-23(18(12)21-11)10-16(24)22-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 385.81 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 18592071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).