(3,4-difluorophenyl)-quinolin-4-ylmethanone

C16H9F2NO — CID 86811172

IUPAC(3,4-difluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccnc2ccccc12
InChIInChI=1S/C16H9F2NO/c17-13-6-5-10(9-14(13)18)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H
InChIKeyWWCWHECLANIQID-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.74
Rot. Bonds2

About (3,4-difluorophenyl)-quinolin-4-ylmethanone

(3,4-difluorophenyl)-quinolin-4-ylmethanone (PubChem CID 86811172) has the molecular formula C16H9F2NO and a molecular weight of 269.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-quinolin-4-ylmethanone
PubChem CID86811172
Molecular FormulaC16H9F2NO
Molecular Weight269.25 g/mol
Exact Mass269.07
IUPAC Name(3,4-difluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccnc2ccccc12
InChIInChI=1S/C16H9F2NO/c17-13-6-5-10(9-14(13)18)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H
InChIKeyWWCWHECLANIQID-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

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Related Compounds

(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 71423090
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(4-propylphenyl)-quinolin-4-ylmethanone
CID 86811157
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
CID 105123960
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-quinolin-4-ylmethanone?
The IUPAC name of (3,4-difluorophenyl)-quinolin-4-ylmethanone (CID 86811172) is (3,4-difluorophenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (3,4-difluorophenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (3,4-difluorophenyl)-quinolin-4-ylmethanone is O=C(c1ccc(F)c(F)c1)c1ccnc2ccccc12.
What is the InChIKey of (3,4-difluorophenyl)-quinolin-4-ylmethanone?
The InChIKey is WWCWHECLANIQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO/c17-13-6-5-10(9-14(13)18)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H.
What are the key properties of (3,4-difluorophenyl)-quinolin-4-ylmethanone?
(3,4-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 (3,4-difluorophenyl)-quinolin-4-ylmethanone is sourced from PubChem (CID 86811172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).