4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

C17H17FN6O3 — CID 10690640

IUPAC4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESNC1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)C1
InChIInChI=1S/C17H17FN6O3/c18-11-14-10(16(25)9(17(26)27)6-24(14)8-1-2-8)12-13(21-22-20-12)15(11)23-4-3-7(19)5-23/h6-8H,1-5,19H2,(H,26,27)(H,20,21,22)
InChIKeyNQFHXQMGANBUFG-UHFFFAOYSA-N
MW372.36 g/mol
LogP0.98
Rot. Bonds3

About 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 10690640) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
PubChem CID10690640
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC Name4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESNC1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)C1
InChIInChI=1S/C17H17FN6O3/c18-11-14-10(16(25)9(17(26)27)6-24(14)8-1-2-8)12-13(21-22-20-12)15(11)23-4-3-7(19)5-23/h6-8H,1-5,19H2,(H,26,27)(H,20,21,22)
InChIKeyNQFHXQMGANBUFG-UHFFFAOYSA-N
XLogP0.98
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (CID 10690640) is 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is NC1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is NQFHXQMGANBUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c18-11-14-10(16(25)9(17(26)27)6-24(14)8-1-2-8)12-13(21-22-20-12)15(11)23-4-3-7(19)5-23/h6-8H,1-5,19H2,(H,26,27)(H,20,21,22).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 372.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 10690640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).