N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine

C18H19N3O — CID 126620624

IUPACN-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C18H19N3O/c1-12-5-10-17-16(11-12)18(20-13(2)19-17)21(3)14-6-8-15(22-4)9-7-14/h5-11H,1-4H3
InChIKeyXDHCCEXXDXZYEL-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.02
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine

N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine (PubChem CID 126620624) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine
PubChem CID126620624
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C18H19N3O/c1-12-5-10-17-16(11-12)18(20-13(2)19-17)21(3)14-6-8-15(22-4)9-7-14/h5-11H,1-4H3
InChIKeyXDHCCEXXDXZYEL-UHFFFAOYSA-N
XLogP4.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-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 N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine (CID 126620624) is N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine is COc1ccc(N(C)c2nc(C)nc3ccc(C)cc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine?
The InChIKey is XDHCCEXXDXZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-5-10-17-16(11-12)18(20-13(2)19-17)21(3)14-6-8-15(22-4)9-7-14/h5-11H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine?
N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2,6-trimethylquinazolin-4-amine is sourced from PubChem (CID 126620624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).