5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

C18H19ClN6O3 — CID 10549131

IUPAC5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2c(Cl)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C18H19ClN6O3/c1-23-4-6-24(7-5-23)16-12(19)15-11(13-14(16)21-22-20-13)17(26)10(18(27)28)8-25(15)9-2-3-9/h8-9H,2-7H2,1H3,(H,27,28)(H,20,21,22)
InChIKeyKQBNEQNRCNFIGA-UHFFFAOYSA-N
MW402.84 g/mol
LogP1.71
Rot. Bonds3

About 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 10549131) has the molecular formula C18H19ClN6O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
PubChem CID10549131
Molecular FormulaC18H19ClN6O3
Molecular Weight402.84 g/mol
Exact Mass402.12
IUPAC Name5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2c(Cl)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C18H19ClN6O3/c1-23-4-6-24(7-5-23)16-12(19)15-11(13-14(16)21-22-20-13)17(26)10(18(27)28)8-25(15)9-2-3-9/h8-9H,2-7H2,1H3,(H,27,28)(H,20,21,22)
InChIKeyKQBNEQNRCNFIGA-UHFFFAOYSA-N
XLogP1.71
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 162671878
8-chloro-1-cyclopropyl-6-fluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651176
6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 162653166
1-cyclopropyl-6,8-difluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651171
1-cyclopropyl-5-(dimethylamino)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14006871
8-chloro-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 14651175
5-amino-1-cyclopropyl-8-fluoro-6-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142629253
1-cyclopropyl-6,8-difluoro-5-hydrazinyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 15378545
1-cyclopropyl-5,6-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14880213
1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-phenylmethoxyquinoline-3-carboxylic acid
CID 14098539
1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 15622526
5-chloro-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14664183

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (CID 10549131) is 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is CN1CCN(c2c(Cl)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1.
What is the InChIKey of 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is KQBNEQNRCNFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3/c1-23-4-6-24(7-5-23)16-12(19)15-11(13-14(16)21-22-20-13)17(26)10(18(27)28)8-25(15)9-2-3-9/h8-9H,2-7H2,1H3,(H,27,28)(H,20,21,22).
What are the key properties of 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 402.84 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 10549131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).