5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid

C22H16N2O4 — CID 127050071

IUPAC5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cnc4ccccc4c3)cc2)cc(O)c1=O
InChIInChI=1S/C22H16N2O4/c25-20-13-24(12-18(21(20)26)22(27)28)11-14-5-7-15(8-6-14)17-9-16-3-1-2-4-19(16)23-10-17/h1-10,12-13,25H,11H2,(H,27,28)
InChIKeyPRXAFJDTUUYFSB-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.52
Rot. Bonds4

About 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 127050071) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid
PubChem CID127050071
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cnc4ccccc4c3)cc2)cc(O)c1=O
InChIInChI=1S/C22H16N2O4/c25-20-13-24(12-18(21(20)26)22(27)28)11-14-5-7-15(8-6-14)17-9-16-3-1-2-4-19(16)23-10-17/h1-10,12-13,25H,11H2,(H,27,28)
InChIKeyPRXAFJDTUUYFSB-UHFFFAOYSA-N
XLogP3.52
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067617
5-Hydroxy-4-oxo-1-[(1-quinolin-7-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
CID 134140886
5-Hydroxy-4-oxo-1-[[4-(3-pyridyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 127050363
7-[4-(Quinolin-4-ylmethyl)phenyl]heptanoic acid
CID 15667429
2-(4-Quinolinylmethylene)malonic acid
CID 288912
1-benzyl-4-quinolin-3-yl-4H-pyridine-3,5-dicarboxylic acid
CID 155516444
4-hydroxy-6-methyl-3-[(E)-3-(4-quinolyl)prop-2-enoyl]pyran-2-one
CID 135441679
2,4-Dioxo-4-[3-phenylpropyl(6-quinolyl)amino]butanoic acid
CID 504915
3-{(2-Carboxyethyl)-4-[2-(4-quinolinyl)vinyl]anilino}propanoic acid
CID 53315563
Phenanthridine succinic acid 2:1
CID 139144580
butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)
CID 139201243
1-[Quinolin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3921224

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid (CID 127050071) is 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3cnc4ccccc4c3)cc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is PRXAFJDTUUYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-20-13-24(12-18(21(20)26)22(27)28)11-14-5-7-15(8-6-14)17-9-16-3-1-2-4-19(16)23-10-17/h1-10,12-13,25H,11H2,(H,27,28).
What are the key properties of 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(4-quinolin-3-ylphenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 127050071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).