2-chloro-N-(4-chlorophenyl)quinazolin-4-amine

C14H9Cl2N3 — CID 22692704

IUPAC2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
SMILESClc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C14H9Cl2N3/c15-9-5-7-10(8-6-9)17-13-11-3-1-2-4-12(11)18-14(16)19-13/h1-8H,(H,17,18,19)
InChIKeyYLYPNGHTTODCQA-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine

2-chloro-N-(4-chlorophenyl)quinazolin-4-amine (PubChem CID 22692704) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
PubChem CID22692704
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
SMILESClc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C14H9Cl2N3/c15-9-5-7-10(8-6-9)17-13-11-3-1-2-4-12(11)18-14(16)19-13/h1-8H,(H,17,18,19)
InChIKeyYLYPNGHTTODCQA-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(4-chlorophenyl)quinazolin-4-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 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine (CID 22692704) is 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine is Clc1ccc(Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine?
The InChIKey is YLYPNGHTTODCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-9-5-7-10(8-6-9)17-13-11-3-1-2-4-12(11)18-14(16)19-13/h1-8H,(H,17,18,19).
What are the key properties of 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine?
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine has a molecular weight of 290.15 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 22692704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).