3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride

C16H18ClN3 — CID 121005341

IUPAC3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride
SMILESCc1ccc2c(c1)CN(Cc1ccccc1)C(N)=N2.Cl
InChIInChI=1S/C16H17N3.ClH/c1-12-7-8-15-14(9-12)11-19(16(17)18-15)10-13-5-3-2-4-6-13;/h2-9H,10-11H2,1H3,(H2,17,18);1H
InChIKeyKJFHCDVSOROXLH-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.38
Rot. Bonds2

About 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride

3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride (PubChem CID 121005341) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride
PubChem CID121005341
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride
SMILESCc1ccc2c(c1)CN(Cc1ccccc1)C(N)=N2.Cl
InChIInChI=1S/C16H17N3.ClH/c1-12-7-8-15-14(9-12)11-19(16(17)18-15)10-13-5-3-2-4-6-13;/h2-9H,10-11H2,1H3,(H2,17,18);1H
InChIKeyKJFHCDVSOROXLH-UHFFFAOYSA-N
XLogP3.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride 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 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride?
The IUPAC name of 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride (CID 121005341) is 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride.
What is the SMILES notation for 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride?
The canonical SMILES for 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride is Cc1ccc2c(c1)CN(Cc1ccccc1)C(N)=N2.Cl.
What is the InChIKey of 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride?
The InChIKey is KJFHCDVSOROXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.ClH/c1-12-7-8-15-14(9-12)11-19(16(17)18-15)10-13-5-3-2-4-6-13;/h2-9H,10-11H2,1H3,(H2,17,18);1H.
What are the key properties of 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride?
3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride is sourced from PubChem (CID 121005341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).