phenyl(quinolin-2-yl)methanone

C16H11NO — CID 727029

IUPACphenyl(quinolin-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-11H
InChIKeyRVBRBIGCROOWOI-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.47
Rot. Bonds2

About phenyl(quinolin-2-yl)methanone

phenyl(quinolin-2-yl)methanone (PubChem CID 727029) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is phenyl(quinolin-2-yl)methanone.

Molecular Properties

Compound Namephenyl(quinolin-2-yl)methanone
PubChem CID727029
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Namephenyl(quinolin-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-11H
InChIKeyRVBRBIGCROOWOI-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl(quinolin-2-yl)methanone 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 phenyl(quinolin-2-yl)methanone?
The IUPAC name of phenyl(quinolin-2-yl)methanone (CID 727029) is phenyl(quinolin-2-yl)methanone.
What is the SMILES notation for phenyl(quinolin-2-yl)methanone?
The canonical SMILES for phenyl(quinolin-2-yl)methanone is O=C(c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of phenyl(quinolin-2-yl)methanone?
The InChIKey is RVBRBIGCROOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-11H.
What are the key properties of phenyl(quinolin-2-yl)methanone?
phenyl(quinolin-2-yl)methanone has a molecular weight of 233.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(quinolin-2-yl)methanone is sourced from PubChem (CID 727029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).