(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone

C17H12FNO — CID 115789842

IUPAC(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
SMILESCc1ccc(C(=O)c2cccc3ncccc23)c(F)c1
InChIInChI=1S/C17H12FNO/c1-11-7-8-14(15(18)10-11)17(20)13-4-2-6-16-12(13)5-3-9-19-16/h2-10H,1H3
InChIKeyOSWBOAZEYARRGE-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.91
Rot. Bonds2

About (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone

(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone (PubChem CID 115789842) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
PubChem CID115789842
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
SMILESCc1ccc(C(=O)c2cccc3ncccc23)c(F)c1
InChIInChI=1S/C17H12FNO/c1-11-7-8-14(15(18)10-11)17(20)13-4-2-6-16-12(13)5-3-9-19-16/h2-10H,1H3
InChIKeyOSWBOAZEYARRGE-UHFFFAOYSA-N
XLogP3.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
CID 115789920
(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971945
N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide
CID 60622029
(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone (CID 115789842) is (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone is Cc1ccc(C(=O)c2cccc3ncccc23)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone?
The InChIKey is OSWBOAZEYARRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-11-7-8-14(15(18)10-11)17(20)13-4-2-6-16-12(13)5-3-9-19-16/h2-10H,1H3.
What are the key properties of (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone?
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone has a molecular weight of 265.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 115789842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).