4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid

C16H11ClN2O3 — CID 22106030

IUPAC4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(-c2ccccc2Cl)c2ccncc21
InChIInChI=1S/C16H11ClN2O3/c1-19-12-8-18-7-6-10(12)13(14(15(19)20)16(21)22)9-4-2-3-5-11(9)17/h2-8H,1H3,(H,21,22)
InChIKeyIZJFZMGMMZHQAN-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.95
Rot. Bonds2

About 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid

4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid (PubChem CID 22106030) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid
PubChem CID22106030
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(-c2ccccc2Cl)c2ccncc21
InChIInChI=1S/C16H11ClN2O3/c1-19-12-8-18-7-6-10(12)13(14(15(19)20)16(21)22)9-4-2-3-5-11(9)17/h2-8H,1H3,(H,21,22)
InChIKeyIZJFZMGMMZHQAN-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid (CID 22106030) is 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid is Cn1c(=O)c(C(=O)O)c(-c2ccccc2Cl)c2ccncc21.
What is the InChIKey of 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid?
The InChIKey is IZJFZMGMMZHQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-19-12-8-18-7-6-10(12)13(14(15(19)20)16(21)22)9-4-2-3-5-11(9)17/h2-8H,1H3,(H,21,22).
What are the key properties of 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid?
4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid has a molecular weight of 314.73 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-methyl-2-oxo-1,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 22106030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).