7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide

C20H23FN4O3 — CID 126842389

IUPAC7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN4O3/c1-12(26)23-5-7-24(8-6-23)18-10-17-14(9-16(18)21)19(27)15(20(28)22-2)11-25(17)13-3-4-13/h9-11,13H,3-8H2,1-2H3,(H,22,28)
InChIKeyAMZGYPDVTAOARB-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.50
Rot. Bonds3

About 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide

7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 126842389) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide
PubChem CID126842389
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN4O3/c1-12(26)23-5-7-24(8-6-23)18-10-17-14(9-16(18)21)19(27)15(20(28)22-2)11-25(17)13-3-4-13/h9-11,13H,3-8H2,1-2H3,(H,22,28)
InChIKeyAMZGYPDVTAOARB-UHFFFAOYSA-N
XLogP1.50
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 3684314
Ciproxan
CID 4011971
6-Fluoro-7-(piperazin-1-yl)-9-cyclopropylisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 10406223
1-Ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide
CID 627579
1-Ethyl-6-fluoro-4-oxo-7-piperidin-1-yl-1,4-dihydroquinoline-3-carbohydrazide
CID 718471
1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 919346
1-Ethyl-6-fluoro-7-(piperazin-1-YL)quinolin-4(1H)-one
CID 12733939
Oxociprofloxacin
CID 128242
CID 6919009
CID 6919009
CID 6919051
CID 6919051
1-Cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
CID 6957639
7-(Cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 718467

Frequently Asked Questions

What is the IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide (CID 126842389) is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide is CNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is AMZGYPDVTAOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-12(26)23-5-7-24(8-6-23)18-10-17-14(9-16(18)21)19(27)15(20(28)22-2)11-25(17)13-3-4-13/h9-11,13H,3-8H2,1-2H3,(H,22,28).
What are the key properties of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide?
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 126842389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).