3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one

C26H23NO — CID 10406546

IUPAC3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one
SMILESCC(=O)C(Cc1ccccc1)(Cc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C26H23NO/c1-20(28)26(18-21-10-4-2-5-11-21,19-22-12-6-3-7-13-22)25-17-16-23-14-8-9-15-24(23)27-25/h2-17H,18-19H2,1H3
InChIKeyMZIMGKOWTMZMGI-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.55
Rot. Bonds6

About 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one

3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one (PubChem CID 10406546) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one
PubChem CID10406546
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one
SMILESCC(=O)C(Cc1ccccc1)(Cc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C26H23NO/c1-20(28)26(18-21-10-4-2-5-11-21,19-22-12-6-3-7-13-22)25-17-16-23-14-8-9-15-24(23)27-25/h2-17H,18-19H2,1H3
InChIKeyMZIMGKOWTMZMGI-UHFFFAOYSA-N
XLogP5.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2-tert-butylquinoline;methane
CID 164995315
2-(2-phenylpropan-2-yl)quinoline
CID 151236236
2-methyl-2-quinolin-2-ylpropanal
CID 130025083
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
2-[tris(methylsulfanyl)methyl]quinoline
CID 23583859
3-benzyl-3-decyltridecan-2-one
CID 21201320
CID 67646015
CID 67646015
2-(1-chloro-1-phenylpropyl)quinoline
CID 163213076
2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid
CID 62818559
4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid
CID 67824794

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one?
The IUPAC name of 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one (CID 10406546) is 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one.
What is the SMILES notation for 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one?
The canonical SMILES for 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one is CC(=O)C(Cc1ccccc1)(Cc1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one?
The InChIKey is MZIMGKOWTMZMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-20(28)26(18-21-10-4-2-5-11-21,19-22-12-6-3-7-13-22)25-17-16-23-14-8-9-15-24(23)27-25/h2-17H,18-19H2,1H3.
What are the key properties of 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one?
3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one has a molecular weight of 365.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 10406546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).