1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

C21H27N3O3 — CID 20631370

IUPAC1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCCC1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC(C)N1C
InChIInChI=1S/C21H27N3O3/c1-4-14-11-23(10-13(2)22(14)3)16-7-8-17-19(9-16)24(15-5-6-15)12-18(20(17)25)21(26)27/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,26,27)
InChIKeyZBAQQDLYBWHDCT-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.95
Rot. Bonds4

About 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 20631370) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID20631370
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCCC1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC(C)N1C
InChIInChI=1S/C21H27N3O3/c1-4-14-11-23(10-13(2)22(14)3)16-7-8-17-19(9-16)24(15-5-6-15)12-18(20(17)25)21(26)27/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,26,27)
InChIKeyZBAQQDLYBWHDCT-UHFFFAOYSA-N
XLogP2.95
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278
1-cyclopropyl-6-fluoro-7-(3-methyl-4-propylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 13326823
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10109937
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 67271550
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
1-cyclopropyl-7-(2,4-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70465872
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(2R)-1-fluoropropan-2-yl]-4-oxoquinoline-3-carboxylic acid
CID 71165794
(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate
CID 70447645
1-cyclopropyl-6-fluoro-7-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 10426868
1-cyclopropyl-7-[4-[4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 10145624
2-amino-5-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114539657
1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-propylpentanoyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 71454798

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid (CID 20631370) is 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid is CCC1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC(C)N1C.
What is the InChIKey of 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ZBAQQDLYBWHDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-14-11-23(10-13(2)22(14)3)16-7-8-17-19(9-16)24(15-5-6-15)12-18(20(17)25)21(26)27/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,26,27).
What are the key properties of 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 369.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(3-ethyl-4,5-dimethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 20631370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).