6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine

C15H11Cl2N3 — CID 46879729

IUPAC6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
SMILESClc1ccc2ncnc(NCc3ccccc3Cl)c2c1
InChIInChI=1S/C15H11Cl2N3/c16-11-5-6-14-12(7-11)15(20-9-19-14)18-8-10-3-1-2-4-13(10)17/h1-7,9H,8H2,(H,18,19,20)
InChIKeyHXMKXCFVTXNJJI-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.55
Rot. Bonds3

About 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine

6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine (PubChem CID 46879729) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
PubChem CID46879729
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
SMILESClc1ccc2ncnc(NCc3ccccc3Cl)c2c1
InChIInChI=1S/C15H11Cl2N3/c16-11-5-6-14-12(7-11)15(20-9-19-14)18-8-10-3-1-2-4-13(10)17/h1-7,9H,8H2,(H,18,19,20)
InChIKeyHXMKXCFVTXNJJI-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[(2-chlorophenyl)methyl]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 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine (CID 46879729) is 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine is Clc1ccc2ncnc(NCc3ccccc3Cl)c2c1.
What is the InChIKey of 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine?
The InChIKey is HXMKXCFVTXNJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-11-5-6-14-12(7-11)15(20-9-19-14)18-8-10-3-1-2-4-13(10)17/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine?
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine has a molecular weight of 304.18 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 46879729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).