N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine

C18H19N3O2 — CID 36835195

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCCOc1ccc(CNc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C18H19N3O2/c1-3-23-16-9-8-13(10-17(16)22-2)11-19-18-14-6-4-5-7-15(14)20-12-21-18/h4-10,12H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyYOVICBFNDPHMST-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.65
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine

N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 36835195) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID36835195
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCCOc1ccc(CNc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C18H19N3O2/c1-3-23-16-9-8-13(10-17(16)22-2)11-19-18-14-6-4-5-7-15(14)20-12-21-18/h4-10,12H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyYOVICBFNDPHMST-UHFFFAOYSA-N
XLogP3.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethoxy-3-methoxyphenyl)methyl]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

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine
CID 55854206
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine (CID 36835195) is N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine is CCOc1ccc(CNc2ncnc3ccccc23)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is YOVICBFNDPHMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-23-16-9-8-13(10-17(16)22-2)11-19-18-14-6-4-5-7-15(14)20-12-21-18/h4-10,12H,3,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine?
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 36835195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).