2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid

C16H12N2O3 — CID 82898259

IUPAC2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccc3ccccc3n2)c(=O)c1
InChIInChI=1S/C16H12N2O3/c19-15-9-12(16(20)21)7-8-18(15)10-13-6-5-11-3-1-2-4-14(11)17-13/h1-9H,10H2,(H,20,21)
InChIKeyQDQMEXHRBJDUCH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.14
Rot. Bonds3

About 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid

2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid (PubChem CID 82898259) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
PubChem CID82898259
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccc3ccccc3n2)c(=O)c1
InChIInChI=1S/C16H12N2O3/c19-15-9-12(16(20)21)7-8-18(15)10-13-6-5-11-3-1-2-4-14(11)17-13/h1-9H,10H2,(H,20,21)
InChIKeyQDQMEXHRBJDUCH-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502747
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82903890
CID 67646015
CID 67646015
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 114850273
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82918341
1-[(5-bromothiophen-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901684
2-[1-(quinolin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461815
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-quinolin-2-ylacetic acid;hydrate
CID 141421012

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid (CID 82898259) is 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid is O=C(O)c1ccn(Cc2ccc3ccccc3n2)c(=O)c1.
What is the InChIKey of 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid?
The InChIKey is QDQMEXHRBJDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-9-12(16(20)21)7-8-18(15)10-13-6-5-11-3-1-2-4-14(11)17-13/h1-9H,10H2,(H,20,21).
What are the key properties of 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid?
2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 82898259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).