3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

C24H20ClN5 — CID 51365961

IUPAC3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCCc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1
InChIInChI=1S/C24H20ClN5/c1-2-16-10-12-17(13-11-16)15-26-23-20-8-3-4-9-21(20)30-24(27-23)22(28-29-30)18-6-5-7-19(25)14-18/h3-14H,2,15H2,1H3,(H,26,27)
InChIKeyNJOGRDQIIUSIQZ-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.77
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 51365961) has the molecular formula C24H20ClN5 and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID51365961
Molecular FormulaC24H20ClN5
Molecular Weight413.91 g/mol
Exact Mass413.14
IUPAC Name3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCCc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1
InChIInChI=1S/C24H20ClN5/c1-2-16-10-12-17(13-11-16)15-26-23-20-8-3-4-9-21(20)30-24(27-23)22(28-29-30)18-6-5-7-19(25)14-18/h3-14H,2,15H2,1H3,(H,26,27)
InChIKeyNJOGRDQIIUSIQZ-UHFFFAOYSA-N
XLogP5.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine 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 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (CID 51365961) is 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is CCc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is NJOGRDQIIUSIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5/c1-2-16-10-12-17(13-11-16)15-26-23-20-8-3-4-9-21(20)30-24(27-23)22(28-29-30)18-6-5-7-19(25)14-18/h3-14H,2,15H2,1H3,(H,26,27).
What are the key properties of 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 413.91 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 51365961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).