1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid

C19H22N4O5 — CID 11794531

IUPAC1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCN(C)CC2)c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C19H22N4O5/c1-11-16-13(18(24)14(19(25)26)10-22(16)12-3-4-12)9-15(23(27)28)17(11)21-7-5-20(2)6-8-21/h9-10,12H,3-8H2,1-2H3,(H,25,26)
InChIKeyMAMFHSVJWRJKLE-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.00
Rot. Bonds4

About 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid (PubChem CID 11794531) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid
PubChem CID11794531
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCN(C)CC2)c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C19H22N4O5/c1-11-16-13(18(24)14(19(25)26)10-22(16)12-3-4-12)9-15(23(27)28)17(11)21-7-5-20(2)6-8-21/h9-10,12H,3-8H2,1-2H3,(H,25,26)
InChIKeyMAMFHSVJWRJKLE-UHFFFAOYSA-N
XLogP2.00
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 15622526
1-cyclopropyl-6,8-difluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651171
7-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 19776611
5-amino-1-cyclopropyl-8-fluoro-6-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142629253
8-chloro-1-cyclopropyl-6-fluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651176
ethyl 1-(4-fluorophenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate
CID 10814129
1-cyclopropyl-7-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11710485
1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14052587
6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10832050
7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,4-difluorophenyl)-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 25242975
7-cyclopropyl-2-(4-methylpiperazin-1-yl)-3-nitro-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 15382782
1-cyclopropyl-7-(4-hydroxypiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10497488

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid (CID 11794531) is 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid is Cc1c(N2CCN(C)CC2)c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MAMFHSVJWRJKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-11-16-13(18(24)14(19(25)26)10-22(16)12-3-4-12)9-15(23(27)28)17(11)21-7-5-20(2)6-8-21/h9-10,12H,3-8H2,1-2H3,(H,25,26).
What are the key properties of 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 11794531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).