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

C23H19NO4 — CID 46886329

IUPAC4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2=O
InChIInChI=1S/C23H19NO4/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/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,27,28)
InChIKeyMIPSWIHHZZXCHZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.78
Rot. Bonds4

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

4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid (PubChem CID 46886329) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid
PubChem CID46886329
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2=O
InChIInChI=1S/C23H19NO4/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/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,27,28)
InChIKeyMIPSWIHHZZXCHZ-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

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Frequently Asked Questions

What is the IUPAC name of 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid?
The IUPAC name of 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid (CID 46886329) is 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid?
The canonical SMILES for 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2=O.
What is the InChIKey of 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid?
The InChIKey is MIPSWIHHZZXCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/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/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,27,28).
What are the key properties of 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid?
4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-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 4,8-dioxo-1-[(4-phenylphenyl)methyl]-6,7-dihydro-5H-quinoline-3-carboxylic acid is sourced from PubChem (CID 46886329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).