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

C21H26ClN3 — CID 54669774

IUPAC3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccc(C)cc2)N1CCCN(C)C
InChIInChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3
InChIKeyRZVYHDCYMAMDJY-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.06
Rot. Bonds5

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

3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 54669774) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID54669774
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC Name3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccc(C)cc2)N1CCCN(C)C
InChIInChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3
InChIKeyRZVYHDCYMAMDJY-UHFFFAOYSA-N
XLogP5.06
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[6-chloro-2-methyl-4-(4-methylphenyl)-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-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine (CID 54669774) is 3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine is CC1=Nc2ccc(Cl)cc2C(c2ccc(C)cc2)N1CCCN(C)C.
What is the InChIKey of 3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is RZVYHDCYMAMDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3.
What are the key properties of 3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine?
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 355.91 g/mol, XLogP of 5.06, 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-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 54669774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).