(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone

C16H9ClFNO — CID 105394234

IUPAC(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H9ClFNO/c17-13-7-6-11(18)9-12(13)16(20)15-8-5-10-3-1-2-4-14(10)19-15/h1-9H
InChIKeyHJYBSXINVAFJIO-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.26
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone

(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone (PubChem CID 105394234) has the molecular formula C16H9ClFNO and a molecular weight of 285.71 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone
PubChem CID105394234
Molecular FormulaC16H9ClFNO
Molecular Weight285.71 g/mol
Exact Mass285.04
IUPAC Name(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H9ClFNO/c17-13-7-6-11(18)9-12(13)16(20)15-8-5-10-3-1-2-4-14(10)19-15/h1-9H
InChIKeyHJYBSXINVAFJIO-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 ≤ 500285.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2391802
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
CID 107128303
(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone
CID 105405253
2-bromo-5-fluoro-N-quinolin-2-ylbenzamide
CID 51265955
(2-chloro-4-fluorophenyl)-quinolin-3-ylmethanone
CID 62945348
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone (CID 105394234) is (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone?
The InChIKey is HJYBSXINVAFJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO/c17-13-7-6-11(18)9-12(13)16(20)15-8-5-10-3-1-2-4-14(10)19-15/h1-9H.
What are the key properties of (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone?
(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone has a molecular weight of 285.71 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 (2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone is sourced from PubChem (CID 105394234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).