4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid

C17H14N2O4 — CID 22106083

IUPAC4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)c(=O)n(C)c3ncccc23)cc1
InChIInChI=1S/C17H14N2O4/c1-19-15-12(4-3-9-18-15)13(14(16(19)20)17(21)22)10-5-7-11(23-2)8-6-10/h3-9H,1-2H3,(H,21,22)
InChIKeyOSCRXLFDBWFYFG-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.31
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid

4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 22106083) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID22106083
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)c(=O)n(C)c3ncccc23)cc1
InChIInChI=1S/C17H14N2O4/c1-19-15-12(4-3-9-18-15)13(14(16(19)20)17(21)22)10-5-7-11(23-2)8-6-10/h3-9H,1-2H3,(H,21,22)
InChIKeyOSCRXLFDBWFYFG-UHFFFAOYSA-N
XLogP2.31
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 22106083) is 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is COc1ccc(-c2c(C(=O)O)c(=O)n(C)c3ncccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is OSCRXLFDBWFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-19-15-12(4-3-9-18-15)13(14(16(19)20)17(21)22)10-5-7-11(23-2)8-6-10/h3-9H,1-2H3,(H,21,22).
What are the key properties of 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 22106083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).