(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone

C16H9ClFNO — CID 105396628

IUPAC(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1cc(F)ccc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-14-6-5-10(18)9-13(14)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H
InChIKeyZUBNSEIILOXYLL-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.26
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone

(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone (PubChem CID 105396628) has the molecular formula C16H9ClFNO and a molecular weight of 285.71 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
PubChem CID105396628
Molecular FormulaC16H9ClFNO
Molecular Weight285.71 g/mol
Exact Mass285.04
IUPAC Name(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1cc(F)ccc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-14-6-5-10(18)9-13(14)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H
InChIKeyZUBNSEIILOXYLL-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

(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
CID 105089800
(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone
CID 105394234
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
2-(3-fluorophenyl)-1-quinolin-4-ylethanone
CID 105080568
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone (CID 105396628) is (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone is O=C(c1cc(F)ccc1Cl)c1ccnc2ccccc12.
What is the InChIKey of (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone?
The InChIKey is ZUBNSEIILOXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO/c17-14-6-5-10(18)9-13(14)16(20)12-7-8-19-15-4-2-1-3-11(12)15/h1-9H.
What are the key properties of (2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone?
(2-chloro-5-fluorophenyl)-quinolin-4-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-4-ylmethanone is sourced from PubChem (CID 105396628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).