3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one

C29H21NO3 — CID 166439002

IUPAC3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
SMILESCOc1ccc(-n2c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C29H21NO3/c1-33-23-18-16-22(17-19-23)30-25-15-9-8-14-24(25)29(32)26(27(30)20-10-4-2-5-11-20)28(31)21-12-6-3-7-13-21/h2-19H,1H3
InChIKeyDFSDLVUWRLEGRA-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.90
Rot. Bonds5

About 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one

3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one (PubChem CID 166439002) has the molecular formula C29H21NO3 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
PubChem CID166439002
Molecular FormulaC29H21NO3
Molecular Weight431.49 g/mol
Exact Mass431.15
IUPAC Name3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
SMILESCOc1ccc(-n2c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C29H21NO3/c1-33-23-18-16-22(17-19-23)30-25-15-9-8-14-24(25)29(32)26(27(30)20-10-4-2-5-11-20)28(31)21-12-6-3-7-13-21/h2-19H,1H3
InChIKeyDFSDLVUWRLEGRA-UHFFFAOYSA-N
XLogP5.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
ethyl 4-[3-acetyloxy-2-hydroxy-4-(4-methoxybenzoyl)-5-phenylpyrrol-1-yl]benzoate
CID 90699805
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole
CID 175794186
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
CID 134913131
3-benzyl-1-(4-methoxyphenyl)-2-phenylindole;4-(3-benzyl-2-phenylindol-1-yl)phenol;1-(4-methoxyphenyl)-2-phenylindole
CID 162130273
dimethyl 2-fluoro-5-(4-methoxyphenyl)-1-phenylpyrrole-3,4-dicarboxylate
CID 10524017

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one?
The IUPAC name of 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one (CID 166439002) is 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one.
What is the SMILES notation for 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one?
The canonical SMILES for 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one is COc1ccc(-n2c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one?
The InChIKey is DFSDLVUWRLEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO3/c1-33-23-18-16-22(17-19-23)30-25-15-9-8-14-24(25)29(32)26(27(30)20-10-4-2-5-11-20)28(31)21-12-6-3-7-13-21/h2-19H,1H3.
What are the key properties of 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one?
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one has a molecular weight of 431.49 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one is sourced from PubChem (CID 166439002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).