1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid

C16H11ClN2O4 — CID 54731920

IUPAC1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H11ClN2O4/c17-10-5-3-9(4-6-10)8-19-14-11(2-1-7-18-14)13(20)12(15(19)21)16(22)23/h1-7,20H,8H2,(H,22,23)
InChIKeyYEBCPHJXVFWSPP-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.50
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid

1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 54731920) has the molecular formula C16H11ClN2O4 and a molecular weight of 330.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID54731920
Molecular FormulaC16H11ClN2O4
Molecular Weight330.73 g/mol
Exact Mass330.04
IUPAC Name1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H11ClN2O4/c17-10-5-3-9(4-6-10)8-19-14-11(2-1-7-18-14)13(20)12(15(19)21)16(22)23/h1-7,20H,8H2,(H,22,23)
InChIKeyYEBCPHJXVFWSPP-UHFFFAOYSA-N
XLogP2.50
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 54731920) is 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1c(O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YEBCPHJXVFWSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4/c17-10-5-3-9(4-6-10)8-19-14-11(2-1-7-18-14)13(20)12(15(19)21)16(22)23/h1-7,20H,8H2,(H,22,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid?
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 330.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 54731920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).