(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone

C17H11F2NO — CID 105095171

IUPAC(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)c2cc(F)cc(F)c2)c2ccccc2n1
InChIInChI=1S/C17H11F2NO/c1-10-6-15(14-4-2-3-5-16(14)20-10)17(21)11-7-12(18)9-13(19)8-11/h2-9H,1H3
InChIKeyALUROBVCUICLIZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP4.05
Rot. Bonds2

About (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone

(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone (PubChem CID 105095171) has the molecular formula C17H11F2NO and a molecular weight of 283.28 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone
PubChem CID105095171
Molecular FormulaC17H11F2NO
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)c2cc(F)cc(F)c2)c2ccccc2n1
InChIInChI=1S/C17H11F2NO/c1-10-6-15(14-4-2-3-5-16(14)20-10)17(21)11-7-12(18)9-13(19)8-11/h2-9H,1H3
InChIKeyALUROBVCUICLIZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8675808
(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
CID 105083333
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
1-(2-methylquinolin-4-yl)prop-2-yn-1-one
CID 105108238
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
CID 105132581

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone (CID 105095171) is (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)c2cc(F)cc(F)c2)c2ccccc2n1.
What is the InChIKey of (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone?
The InChIKey is ALUROBVCUICLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO/c1-10-6-15(14-4-2-3-5-16(14)20-10)17(21)11-7-12(18)9-13(19)8-11/h2-9H,1H3.
What are the key properties of (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone?
(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone has a molecular weight of 283.28 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 105095171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).