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

C18H20N6O3 — CID 10666714

IUPAC6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2cc3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C18H20N6O3/c1-22-4-6-23(7-5-22)13-8-12-14(16-15(13)19-21-20-16)17(25)11(18(26)27)9-24(12)10-2-3-10/h8-10H,2-7H2,1H3,(H,26,27)(H,19,20,21)
InChIKeyPMWUISNHOIMAAR-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.06
Rot. Bonds3

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

6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 10666714) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
PubChem CID10666714
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2cc3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C18H20N6O3/c1-22-4-6-23(7-5-22)13-8-12-14(16-15(13)19-21-20-16)17(25)11(18(26)27)9-24(12)10-2-3-10/h8-10H,2-7H2,1H3,(H,26,27)(H,19,20,21)
InChIKeyPMWUISNHOIMAAR-UHFFFAOYSA-N
XLogP1.06
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (CID 10666714) is 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is CN1CCN(c2cc3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1.
What is the InChIKey of 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is PMWUISNHOIMAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-22-4-6-23(7-5-22)13-8-12-14(16-15(13)19-21-20-16)17(25)11(18(26)27)9-24(12)10-2-3-10/h8-10H,2-7H2,1H3,(H,26,27)(H,19,20,21).
What are the key properties of 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 368.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 10666714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).