3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine

C20H24ClN3 — CID 54757898

IUPAC3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCCN(C)C
InChIInChI=1S/C20H24ClN3/c1-15-22-19-11-10-17(21)14-18(19)20(16-8-5-4-6-9-16)24(15)13-7-12-23(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3
InChIKeyMLJJLSUFQVBLMB-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.75
Rot. Bonds5

About 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine

3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 54757898) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID54757898
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCCN(C)C
InChIInChI=1S/C20H24ClN3/c1-15-22-19-11-10-17(21)14-18(19)20(16-8-5-4-6-9-16)24(15)13-7-12-23(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3
InChIKeyMLJJLSUFQVBLMB-UHFFFAOYSA-N
XLogP4.75
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-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 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine (CID 54757898) is 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCCN(C)C.
What is the InChIKey of 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is MLJJLSUFQVBLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-15-22-19-11-10-17(21)14-18(19)20(16-8-5-4-6-9-16)24(15)13-7-12-23(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3.
What are the key properties of 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine?
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 341.89 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 54757898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).