1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one

C12H9ClFNO — CID 82243491

IUPAC1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cc(F)c(Cl)cc2n1
InChIInChI=1S/C12H9ClFNO/c1-7(16)4-9-3-2-8-5-11(14)10(13)6-12(8)15-9/h2-3,5-6H,4H2,1H3
InChIKeyJPGSAKOBGUDBNK-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.16
Rot. Bonds2

About 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one

1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one (PubChem CID 82243491) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
PubChem CID82243491
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cc(F)c(Cl)cc2n1
InChIInChI=1S/C12H9ClFNO/c1-7(16)4-9-3-2-8-5-11(14)10(13)6-12(8)15-9/h2-3,5-6H,4H2,1H3
InChIKeyJPGSAKOBGUDBNK-UHFFFAOYSA-N
XLogP3.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoroquinolin-2-yl)propan-2-one
CID 82241337
1-(8-chloroquinolin-2-yl)propan-2-one
CID 82242117
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
7-chloro-6-fluoroquinoline-2-carbaldehyde
CID 23359173
2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide
CID 110490467
6,7-dichloro-2-(chloromethyl)quinoline
CID 22241391
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
CID 83899914
methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
CID 82246778
7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline
CID 142666459
4-[2-[(7-chloro-6-fluoroquinolin-2-yl)methoxy]-11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepin-8-yl]butan-2-one
CID 23359136
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one?
The IUPAC name of 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one (CID 82243491) is 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one.
What is the SMILES notation for 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one?
The canonical SMILES for 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one is CC(=O)Cc1ccc2cc(F)c(Cl)cc2n1.
What is the InChIKey of 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one?
The InChIKey is JPGSAKOBGUDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c1-7(16)4-9-3-2-8-5-11(14)10(13)6-12(8)15-9/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one?
1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one has a molecular weight of 237.66 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one is sourced from PubChem (CID 82243491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).