2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone

C17H11F2NO — CID 105405253

IUPAC2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H11F2NO/c18-13-7-11(8-14(19)10-13)9-17(21)16-6-5-12-3-1-2-4-15(12)20-16/h1-8,10H,9H2
InChIKeyQYINHDOCQYKGOO-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.94
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone

2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone (PubChem CID 105405253) has the molecular formula C17H11F2NO and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone
PubChem CID105405253
Molecular FormulaC17H11F2NO
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H11F2NO/c18-13-7-11(8-14(19)10-13)9-17(21)16-6-5-12-3-1-2-4-15(12)20-16/h1-8,10H,9H2
InChIKeyQYINHDOCQYKGOO-UHFFFAOYSA-N
XLogP3.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-quinolin-2-ylethanone
CID 63409967
2-(4-chlorophenyl)-1-quinolin-2-ylethanone
CID 63222375
1,2-di(quinolin-2-yl)ethanone
CID 24973307
2-amino-1-quinolin-2-ylethanone
CID 23532024
2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone
CID 63222293
1-quinolin-2-ylbutan-1-one
CID 14895778
2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79701083
2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone
CID 79732159
2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone
CID 104798887
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-quinolin-2-ylethanone
CID 58449174
3-methyl-1-quinolin-2-ylbut-3-en-1-one
CID 79177139
2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
CID 135186490

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone (CID 105405253) is 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone is O=C(Cc1cc(F)cc(F)c1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone?
The InChIKey is QYINHDOCQYKGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO/c18-13-7-11(8-14(19)10-13)9-17(21)16-6-5-12-3-1-2-4-15(12)20-16/h1-8,10H,9H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone?
2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone has a molecular weight of 283.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-quinolin-2-ylethanone is sourced from PubChem (CID 105405253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).