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

C18H19FN6O3 — CID 11794526

IUPAC6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C18H19FN6O3/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)
InChIKeyKCNMUNKFBOVTLL-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.20
Rot. Bonds3

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

6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 11794526) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
PubChem CID11794526
Molecular FormulaC18H19FN6O3
Molecular Weight386.39 g/mol
Exact Mass386.15
IUPAC Name6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C18H19FN6O3/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)
InChIKeyKCNMUNKFBOVTLL-UHFFFAOYSA-N
XLogP1.20
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-5-fluoro-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

9-Ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
CID 10016057
3,9-Diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
CID 10446688
9-Ethyl-3-methyl-6-oxo-triazolo[4,5-h]quinoline-7-carboxylic acid
CID 10468448
4-(3-aminopyrrolidin-1-yl)-5-chloro-6-cyclopropyl-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10500508
5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10549131
4-[3-(aminomethyl)pyrrolidin-1-yl]-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10572191
6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10666714
6-cyclopropyl-5-fluoro-9-oxo-4-piperazin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10690639
4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10690640
3,9-Dimethyl-6-oxo-triazolo[4,5-h]quinoline-7-carboxylic acid
CID 25005790
3-Methyl-6-oxo-9-propyl-triazolo[4,5-h]quinoline-7-carboxylic acid
CID 25005791
9-Butyl-3-methyl-6-oxo-triazolo[4,5-h]quinoline-7-carboxylic acid
CID 25006144

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (CID 11794526) is 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is CN1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1.
What is the InChIKey of 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is KCNMUNKFBOVTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/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 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 386.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 11794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).