(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone

C16H9ClFNO — CID 81220410

IUPAC(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H9ClFNO/c17-13-5-1-4-12(15(13)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H
InChIKeyMYGLQCARMNTNNG-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.26
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone

(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone (PubChem CID 81220410) has the molecular formula C16H9ClFNO and a molecular weight of 285.70 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
PubChem CID81220410
Molecular FormulaC16H9ClFNO
Molecular Weight285.70 g/mol
Exact Mass285.04
IUPAC Name(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H9ClFNO/c17-13-5-1-4-12(15(13)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H
InChIKeyMYGLQCARMNTNNG-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
CID 115790550
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 82789499

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone (CID 81220410) is (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone is O=C(c1ccc2ncccc2c1)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone?
The InChIKey is MYGLQCARMNTNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO/c17-13-5-1-4-12(15(13)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H.
What are the key properties of (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone?
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone has a molecular weight of 285.70 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone is sourced from PubChem (CID 81220410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).