6-chloro-4-(4-methylphenyl)quinazolin-2-amine

C15H12ClN3 — CID 70688271

IUPAC6-chloro-4-(4-methylphenyl)quinazolin-2-amine
SMILESCc1ccc(-c2nc(N)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C15H12ClN3/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyNVKZVXHMVWYHEZ-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.84
Rot. Bonds1

About 6-chloro-4-(4-methylphenyl)quinazolin-2-amine

6-chloro-4-(4-methylphenyl)quinazolin-2-amine (PubChem CID 70688271) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 6-chloro-4-(4-methylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(4-methylphenyl)quinazolin-2-amine
PubChem CID70688271
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name6-chloro-4-(4-methylphenyl)quinazolin-2-amine
SMILESCc1ccc(-c2nc(N)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C15H12ClN3/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyNVKZVXHMVWYHEZ-UHFFFAOYSA-N
XLogP3.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4-(4-methylphenyl)quinazolin-2-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-4-(4-methylphenyl)quinazolin-2-amine?
The IUPAC name of 6-chloro-4-(4-methylphenyl)quinazolin-2-amine (CID 70688271) is 6-chloro-4-(4-methylphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-chloro-4-(4-methylphenyl)quinazolin-2-amine?
The canonical SMILES for 6-chloro-4-(4-methylphenyl)quinazolin-2-amine is Cc1ccc(-c2nc(N)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-4-(4-methylphenyl)quinazolin-2-amine?
The InChIKey is NVKZVXHMVWYHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 6-chloro-4-(4-methylphenyl)quinazolin-2-amine?
6-chloro-4-(4-methylphenyl)quinazolin-2-amine has a molecular weight of 269.74 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methylphenyl)quinazolin-2-amine is sourced from PubChem (CID 70688271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).