3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

C25H22ClN5 — CID 51365962

IUPAC3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCC(C)c1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1
InChIInChI=1S/C25H22ClN5/c1-16(2)18-12-10-17(11-13-18)15-27-24-21-8-3-4-9-22(21)31-25(28-24)23(29-30-31)19-6-5-7-20(26)14-19/h3-14,16H,15H2,1-2H3,(H,27,28)
InChIKeyLREFXXCOSGSGQY-UHFFFAOYSA-N
MW427.94 g/mol
LogP6.33
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine

3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 51365962) has the molecular formula C25H22ClN5 and a molecular weight of 427.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID51365962
Molecular FormulaC25H22ClN5
Molecular Weight427.94 g/mol
Exact Mass427.16
IUPAC Name3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
SMILESCC(C)c1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1
InChIInChI=1S/C25H22ClN5/c1-16(2)18-12-10-17(11-13-18)15-27-24-21-8-3-4-9-22(21)31-25(28-24)23(29-30-31)19-6-5-7-20(26)14-19/h3-14,16H,15H2,1-2H3,(H,27,28)
InChIKeyLREFXXCOSGSGQY-UHFFFAOYSA-N
XLogP6.33
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)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

Related Compounds

2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
CID 12612431
N-{2-[(3-phenyl[1,2,3]triazolo[1,5-a]quinazolin-5-yl)amino]ethyl}acetamide
CID 6619965
5-Chloro-3-phenyl[1,2,3]triazolo[1,5-a]quinazoline
CID 10707928
N-(3-methoxypropyl)-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 16824683
N-isopropyl-3-(4-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20874463
8-chloro-N-(2-phenylpropyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20889080
9-Chloro-6-ethyl-6H-indolo(2,3-b)quinoxaline
CID 1523680
N-[2-(4-chlorophenyl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010778
N-[2-(4-methylphenyl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010788
N-[(3-chlorophenyl)methyl]-2-phenylquinazolin-4-amine
CID 2452792
5-Butyl-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 9902350
(4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl)(1-methyl-1H-imidazol-5-yl)methanamine
CID 9935716

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine (CID 51365962) is 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is CC(C)c1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is LREFXXCOSGSGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5/c1-16(2)18-12-10-17(11-13-18)15-27-24-21-8-3-4-9-22(21)31-25(28-24)23(29-30-31)19-6-5-7-20(26)14-19/h3-14,16H,15H2,1-2H3,(H,27,28).
What are the key properties of 3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine?
3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 427.94 g/mol, XLogP of 6.33, 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-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 51365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).