(2,5-difluorophenyl)-quinolin-4-ylmethanone

C16H9F2NO — CID 86811170

IUPAC(2,5-difluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1cc(F)ccc1F)c1ccnc2ccccc12
InChIInChI=1S/C16H9F2NO/c17-10-5-6-14(18)13(9-10)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H
InChIKeyLCNWWMXOYQDOGQ-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.74
Rot. Bonds2

About (2,5-difluorophenyl)-quinolin-4-ylmethanone

(2,5-difluorophenyl)-quinolin-4-ylmethanone (PubChem CID 86811170) has the molecular formula C16H9F2NO and a molecular weight of 269.25 g/mol. Its IUPAC name is (2,5-difluorophenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-quinolin-4-ylmethanone
PubChem CID86811170
Molecular FormulaC16H9F2NO
Molecular Weight269.25 g/mol
Exact Mass269.07
IUPAC Name(2,5-difluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1cc(F)ccc1F)c1ccnc2ccccc12
InChIInChI=1S/C16H9F2NO/c17-10-5-6-14(18)13(9-10)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H
InChIKeyLCNWWMXOYQDOGQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,5-difluorophenyl)-quinolin-4-ylmethanone 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 (2,5-difluorophenyl)-quinolin-4-ylmethanone?
The IUPAC name of (2,5-difluorophenyl)-quinolin-4-ylmethanone (CID 86811170) is (2,5-difluorophenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (2,5-difluorophenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (2,5-difluorophenyl)-quinolin-4-ylmethanone is O=C(c1cc(F)ccc1F)c1ccnc2ccccc12.
What is the InChIKey of (2,5-difluorophenyl)-quinolin-4-ylmethanone?
The InChIKey is LCNWWMXOYQDOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO/c17-10-5-6-14(18)13(9-10)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H.
What are the key properties of (2,5-difluorophenyl)-quinolin-4-ylmethanone?
(2,5-difluorophenyl)-quinolin-4-ylmethanone has a molecular weight of 269.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-quinolin-4-ylmethanone is sourced from PubChem (CID 86811170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).