2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine

C17H16ClN3 — CID 63548184

IUPAC2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine
SMILESCCN(c1ccccc1C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C17H16ClN3/c1-3-21(15-11-7-4-8-12(15)2)16-13-9-5-6-10-14(13)19-17(18)20-16/h4-11H,3H2,1-2H3
InChIKeyXENGOIUFAJRBFI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.75
Rot. Bonds3

About 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine

2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine (PubChem CID 63548184) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine
PubChem CID63548184
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine
SMILESCCN(c1ccccc1C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C17H16ClN3/c1-3-21(15-11-7-4-8-12(15)2)16-13-9-5-6-10-14(13)19-17(18)20-16/h4-11H,3H2,1-2H3
InChIKeyXENGOIUFAJRBFI-UHFFFAOYSA-N
XLogP4.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-ethyl-N-(2-methylphenyl)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-ethyl-N-(2-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine (CID 63548184) is 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine is CCN(c1ccccc1C)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine?
The InChIKey is XENGOIUFAJRBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-3-21(15-11-7-4-8-12(15)2)16-13-9-5-6-10-14(13)19-17(18)20-16/h4-11H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine?
2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 63548184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).