8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C23H21NO4 — CID 46886346

IUPAC8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2O
InChIInChI=1S/C23H21NO4/c25-20-8-4-7-18-21(20)24(14-19(22(18)26)23(27)28)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,20,25H,4,7-8,13H2,(H,27,28)
InChIKeyRARYZVDHTIAOTF-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.63
Rot. Bonds4

About 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 46886346) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID46886346
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2O
InChIInChI=1S/C23H21NO4/c25-20-8-4-7-18-21(20)24(14-19(22(18)26)23(27)28)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,20,25H,4,7-8,13H2,(H,27,28)
InChIKeyRARYZVDHTIAOTF-UHFFFAOYSA-N
XLogP3.63
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid with MolForge

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Related Compounds

5-Hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 44188252
1-(biphenyl-4-ylmethyl)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylic acid
CID 44176997
4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 46866291
4-Oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 46886330
1-[[4-(3-Chlorophenyl)phenyl]methyl]-5-hydroxy-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 46886365
1-[[4-(4-Chlorophenyl)phenyl]methyl]-5-hydroxy-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 46886377
5-Methoxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 44188429
4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid
CID 46886329
1-[[4-(2-Chlorophenyl)phenyl]methyl]-5-hydroxy-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 46886364
2-[4-[(3-Butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid
CID 19595334
1-Ethyl-4-oxo-5,6-diphenylpyridine-3-carboxylic acid
CID 12361308
2-[4-[(2-Butyl-5-ethoxycarbonyl-4-oxo-1-pyridinyl)methyl]phenyl]benzoic acid
CID 19087852

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 46886346) is 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2O.
What is the InChIKey of 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is RARYZVDHTIAOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-20-8-4-7-18-21(20)24(14-19(22(18)26)23(27)28)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,20,25H,4,7-8,13H2,(H,27,28).
What are the key properties of 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 375.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 46886346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).