3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one

C20H23FN2O2 — CID 143677029

IUPAC3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
SMILESCC(=O)c1cn(C2CCCC2)c2cc(NCC3CC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN2O2/c1-12(24)16-11-23(14-4-2-3-5-14)19-9-18(22-10-13-6-7-13)17(21)8-15(19)20(16)25/h8-9,11,13-14,22H,2-7,10H2,1H3
InChIKeyUGRFYPCIIOJJLO-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.28
Rot. Bonds5

About 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one

3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one (PubChem CID 143677029) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
PubChem CID143677029
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
SMILESCC(=O)c1cn(C2CCCC2)c2cc(NCC3CC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN2O2/c1-12(24)16-11-23(14-4-2-3-5-14)19-9-18(22-10-13-6-7-13)17(21)8-15(19)20(16)25/h8-9,11,13-14,22H,2-7,10H2,1H3
InChIKeyUGRFYPCIIOJJLO-UHFFFAOYSA-N
XLogP4.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
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
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 23117753
1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxopropylamino)ethylamino]quinoline-3-carboxylic acid
CID 91337608
(3-acetyl-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl) trifluoromethanesulfonate
CID 20619484
7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 54131792
1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid
CID 118619689
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]ethyl hydrogen sulfate
CID 11409327
7-(cyclohexylamino)-6-fluoro-1-(1-methylazetidin-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 150179225
2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 163613690

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one?
The IUPAC name of 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one (CID 143677029) is 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one.
What is the SMILES notation for 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one?
The canonical SMILES for 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one is CC(=O)c1cn(C2CCCC2)c2cc(NCC3CC3)c(F)cc2c1=O.
What is the InChIKey of 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one?
The InChIKey is UGRFYPCIIOJJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-12(24)16-11-23(14-4-2-3-5-14)19-9-18(22-10-13-6-7-13)17(21)8-15(19)20(16)25/h8-9,11,13-14,22H,2-7,10H2,1H3.
What are the key properties of 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one?
3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one has a molecular weight of 342.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one is sourced from PubChem (CID 143677029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).