5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid

C15H9ClN2O3 — CID 170985444

IUPAC5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c2c(Cl)ccnc2[nH]c1=O
InChIInChI=1S/C15H9ClN2O3/c16-9-6-7-17-13-11(9)10(8-4-2-1-3-5-8)12(15(20)21)14(19)18-13/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyLNOQOCGRNGXPOQ-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.94
Rot. Bonds2

About 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid

5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 170985444) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID170985444
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c2c(Cl)ccnc2[nH]c1=O
InChIInChI=1S/C15H9ClN2O3/c16-9-6-7-17-13-11(9)10(8-4-2-1-3-5-8)12(15(20)21)14(19)18-13/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyLNOQOCGRNGXPOQ-UHFFFAOYSA-N
XLogP2.94
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid (CID 170985444) is 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)c2c(Cl)ccnc2[nH]c1=O.
What is the InChIKey of 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is LNOQOCGRNGXPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-9-6-7-17-13-11(9)10(8-4-2-1-3-5-8)12(15(20)21)14(19)18-13/h1-7H,(H,20,21)(H,17,18,19).
What are the key properties of 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid?
5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 300.70 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 170985444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).