2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine

C15H11ClN6 — CID 44531763

IUPAC2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine
SMILESNc1nc(N)c2c(ccc3[nH]c(-c4ccccc4Cl)nc32)n1
InChIInChI=1S/C15H11ClN6/c16-8-4-2-1-3-7(8)14-19-10-6-5-9-11(12(10)21-14)13(17)22-15(18)20-9/h1-6H,(H,19,21)(H4,17,18,20,22)
InChIKeyLUVFVTZADYSGLL-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.99
Rot. Bonds1

About 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine

2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine (PubChem CID 44531763) has the molecular formula C15H11ClN6 and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine
PubChem CID44531763
Molecular FormulaC15H11ClN6
Molecular Weight310.75 g/mol
Exact Mass310.07
IUPAC Name2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine
SMILESNc1nc(N)c2c(ccc3[nH]c(-c4ccccc4Cl)nc32)n1
InChIInChI=1S/C15H11ClN6/c16-8-4-2-1-3-7(8)14-19-10-6-5-9-11(12(10)21-14)13(17)22-15(18)20-9/h1-6H,(H,19,21)(H4,17,18,20,22)
InChIKeyLUVFVTZADYSGLL-UHFFFAOYSA-N
XLogP2.99
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine 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-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine?
The IUPAC name of 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine (CID 44531763) is 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine.
What is the SMILES notation for 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine?
The canonical SMILES for 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine is Nc1nc(N)c2c(ccc3[nH]c(-c4ccccc4Cl)nc32)n1.
What is the InChIKey of 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine?
The InChIKey is LUVFVTZADYSGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6/c16-8-4-2-1-3-7(8)14-19-10-6-5-9-11(12(10)21-14)13(17)22-15(18)20-9/h1-6H,(H,19,21)(H4,17,18,20,22).
What are the key properties of 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine?
2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine has a molecular weight of 310.75 g/mol, XLogP of 2.99, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine is sourced from PubChem (CID 44531763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).