2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide

C19H14ClN5O — CID 21229530

IUPAC2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide
SMILESO=C(Nc1nc2c3ccccc3nc(C3CC3)n2n1)c1ccccc1Cl
InChIInChI=1S/C19H14ClN5O/c20-14-7-3-1-5-12(14)18(26)23-19-22-17-13-6-2-4-8-15(13)21-16(11-9-10-11)25(17)24-19/h1-8,11H,9-10H2,(H,23,24,26)
InChIKeyXZMIQEZIFZIVJW-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide

2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide (PubChem CID 21229530) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide
PubChem CID21229530
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide
SMILESO=C(Nc1nc2c3ccccc3nc(C3CC3)n2n1)c1ccccc1Cl
InChIInChI=1S/C19H14ClN5O/c20-14-7-3-1-5-12(14)18(26)23-19-22-17-13-6-2-4-8-15(13)21-16(11-9-10-11)25(17)24-19/h1-8,11H,9-10H2,(H,23,24,26)
InChIKeyXZMIQEZIFZIVJW-UHFFFAOYSA-N
XLogP4.06
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide (CID 21229530) is 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide is O=C(Nc1nc2c3ccccc3nc(C3CC3)n2n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide?
The InChIKey is XZMIQEZIFZIVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-14-7-3-1-5-12(14)18(26)23-19-22-17-13-6-2-4-8-15(13)21-16(11-9-10-11)25(17)24-19/h1-8,11H,9-10H2,(H,23,24,26).
What are the key properties of 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide?
2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide has a molecular weight of 363.81 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyclopropyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzamide is sourced from PubChem (CID 21229530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).