3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one

C14H11F2NO2 — CID 59099816

IUPAC3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
SMILESCC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C14H11F2NO2/c1-7(18)10-6-17(8-2-3-8)13-5-12(16)11(15)4-9(13)14(10)19/h4-6,8H,2-3H2,1H3
InChIKeyBWFIGJGTFQFBCK-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.82
Rot. Bonds2

About 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one

3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one (PubChem CID 59099816) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
PubChem CID59099816
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
SMILESCC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C14H11F2NO2/c1-7(18)10-6-17(8-2-3-8)13-5-12(16)11(15)4-9(13)14(10)19/h4-6,8H,2-3H2,1H3
InChIKeyBWFIGJGTFQFBCK-UHFFFAOYSA-N
XLogP2.82
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-acetyl-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl) trifluoromethanesulfonate
CID 20619484
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
CID 143677029
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
7-bromo-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 19807250
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
2-[(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)amino]ethylazanium
CID 118985532
1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxopropylamino)ethylamino]quinoline-3-carboxylic acid
CID 91337608
1-cyclopropyl-6-fluoro-7-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91008490
7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 54131792
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
1-cyclopropyl-6-fluoro-7-(1-hydroxycyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139714093

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one?
The IUPAC name of 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one (CID 59099816) is 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one.
What is the SMILES notation for 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one?
The canonical SMILES for 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one is CC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one?
The InChIKey is BWFIGJGTFQFBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-7(18)10-6-17(8-2-3-8)13-5-12(16)11(15)4-9(13)14(10)19/h4-6,8H,2-3H2,1H3.
What are the key properties of 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one?
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one has a molecular weight of 263.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one is sourced from PubChem (CID 59099816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).