4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid

C23H19NO4 — CID 46866291

IUPAC4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(=O)CCC2
InChIInChI=1S/C23H19NO4/c25-20-8-4-7-19-21(20)22(26)18(23(27)28)14-24(19)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,27,28)
InChIKeyMYKNPZWQOUAWNO-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.78
Rot. Bonds4

About 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid

4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid (PubChem CID 46866291) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid
PubChem CID46866291
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(=O)CCC2
InChIInChI=1S/C23H19NO4/c25-20-8-4-7-19-21(20)22(26)18(23(27)28)14-24(19)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,27,28)
InChIKeyMYKNPZWQOUAWNO-UHFFFAOYSA-N
XLogP3.78
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-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-Benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 16738819
1-(biphenyl-4-ylmethyl)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylic acid
CID 44176997
4-Oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 46886330
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
8-Hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 46886346
1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylic acid
CID 21411673
1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxylic acid
CID 155519475
4'-[(3-Butyl-1,4,5,6,7,8-hexahydro-6-methyl-4-oxo-1-quinolinyl)-methyl)(1,1'-biphenyl)-2-carboxylic acid
CID 19595325
2-[4-[(3-Butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid
CID 19595334
1-[(E)-3-(2-fluorophenyl)prop-2-enyl]-4,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 44188250

Frequently Asked Questions

What is the IUPAC name of 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The IUPAC name of 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid (CID 46866291) is 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The canonical SMILES for 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(=O)CCC2.
What is the InChIKey of 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The InChIKey is MYKNPZWQOUAWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-20-8-4-7-19-21(20)22(26)18(23(27)28)14-24(19)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,27,28).
What are the key properties of 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid?
4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dioxo-1-[(4-phenylphenyl)methyl]-7,8-dihydro-6H-quinoline-3-carboxylic acid is sourced from PubChem (CID 46866291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).