(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine

C28H22Cl2N6 — CID 23388879

IUPAC(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(N)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12
InChIInChI=1S/C28H22Cl2N6/c1-17-33-34-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)36(17)27)28(31,26-15-32-16-35(26)2)19-6-9-21(29)10-7-19/h3-16H,31H2,1-2H3
InChIKeyZBVRAORJUFNDAX-UHFFFAOYSA-N
MW513.43 g/mol
LogP6.15
Rot. Bonds4

About (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine

(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine (PubChem CID 23388879) has the molecular formula C28H22Cl2N6 and a molecular weight of 513.43 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
PubChem CID23388879
Molecular FormulaC28H22Cl2N6
Molecular Weight513.43 g/mol
Exact Mass512.13
IUPAC Name(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(N)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12
InChIInChI=1S/C28H22Cl2N6/c1-17-33-34-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)36(17)27)28(31,26-15-32-16-35(26)2)19-6-9-21(29)10-7-19/h3-16H,31H2,1-2H3
InChIKeyZBVRAORJUFNDAX-UHFFFAOYSA-N
XLogP6.15
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine 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 (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine (CID 23388879) is (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine is Cc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(N)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12.
What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The InChIKey is ZBVRAORJUFNDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N6/c1-17-33-34-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)36(17)27)28(31,26-15-32-16-35(26)2)19-6-9-21(29)10-7-19/h3-16H,31H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine has a molecular weight of 513.43 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 23388879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).