2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine

C19H22ClN3 — CID 54757897

IUPAC2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN(C)C
InChIInChI=1S/C19H22ClN3/c1-14-21-18-10-9-16(20)13-17(18)19(15-7-5-4-6-8-15)23(14)12-11-22(2)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyWJRKINJUFPNAKE-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.36
Rot. Bonds4

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

2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine (PubChem CID 54757897) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine
PubChem CID54757897
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN(C)C
InChIInChI=1S/C19H22ClN3/c1-14-21-18-10-9-16(20)13-17(18)19(15-7-5-4-6-8-15)23(14)12-11-22(2)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyWJRKINJUFPNAKE-UHFFFAOYSA-N
XLogP4.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dazepinil Hydrochloride
CID 11954359
(3E)-3-[(2-chlorophenyl)methylidene]-1-ethyl-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline
CID 44391330
N(4)-Desoxychlordiazepoxide
CID 135400770
2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905532
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
6-chloro-4-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756883
6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756886
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757709
3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
CID 54757712
6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
CID 54757807
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine (CID 54757897) is 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN(C)C.
What is the InChIKey of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine?
The InChIKey is WJRKINJUFPNAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-14-21-18-10-9-16(20)13-17(18)19(15-7-5-4-6-8-15)23(14)12-11-22(2)3/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine?
2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine has a molecular weight of 327.86 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 54757897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).