2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one

C19H17NO2 — CID 66716311

IUPAC2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one
SMILESCCC(O)(C(=O)c1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H17NO2/c1-2-19(22,16-9-4-3-5-10-16)18(21)15-12-14-8-6-7-11-17(14)20-13-15/h3-13,22H,2H2,1H3
InChIKeyDXROGCCSBCATHB-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.72
Rot. Bonds4

About 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one

2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one (PubChem CID 66716311) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one
PubChem CID66716311
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one
SMILESCCC(O)(C(=O)c1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H17NO2/c1-2-19(22,16-9-4-3-5-10-16)18(21)15-12-14-8-6-7-11-17(14)20-13-15/h3-13,22H,2H2,1H3
InChIKeyDXROGCCSBCATHB-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one?
The IUPAC name of 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one (CID 66716311) is 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one.
What is the SMILES notation for 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one?
The canonical SMILES for 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one is CCC(O)(C(=O)c1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one?
The InChIKey is DXROGCCSBCATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-19(22,16-9-4-3-5-10-16)18(21)15-12-14-8-6-7-11-17(14)20-13-15/h3-13,22H,2H2,1H3.
What are the key properties of 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one?
2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one has a molecular weight of 291.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-1-quinolin-3-ylbutan-1-one is sourced from PubChem (CID 66716311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).