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

C23H21NO3 — CID 46886330

IUPAC4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2
InChIInChI=1S/C23H21NO3/c25-22-19-8-4-5-9-21(19)24(15-20(22)23(26)27)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,26,27)
InChIKeyPUKVKTYOJYYTEH-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.14
Rot. Bonds4

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

4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 46886330) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID46886330
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCCC2
InChIInChI=1S/C23H21NO3/c25-22-19-8-4-5-9-21(19)24(15-20(22)23(26)27)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,26,27)
InChIKeyPUKVKTYOJYYTEH-UHFFFAOYSA-N
XLogP4.14
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 46886330) is 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 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)CCCC2.
What is the InChIKey of 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is PUKVKTYOJYYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22-19-8-4-5-9-21(19)24(15-20(22)23(26)27)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 46886330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).