7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine

C18H20N4O — CID 56673138

IUPAC7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc(C)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C18H20N4O/c1-4-23-16-6-5-10(2)7-13(16)12-9-15-14(8-11(12)3)17(19)22-18(20)21-15/h5-9H,4H2,1-3H3,(H4,19,20,21,22)
InChIKeyJBQLSAAGUSPRCE-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.48
Rot. Bonds3

About 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine

7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine (PubChem CID 56673138) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine
PubChem CID56673138
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc(C)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C18H20N4O/c1-4-23-16-6-5-10(2)7-13(16)12-9-15-14(8-11(12)3)17(19)22-18(20)21-15/h5-9H,4H2,1-3H3,(H4,19,20,21,22)
InChIKeyJBQLSAAGUSPRCE-UHFFFAOYSA-N
XLogP3.48
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine 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 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine (CID 56673138) is 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine is CCOc1ccc(C)cc1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is JBQLSAAGUSPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-23-16-6-5-10(2)7-13(16)12-9-15-14(8-11(12)3)17(19)22-18(20)21-15/h5-9H,4H2,1-3H3,(H4,19,20,21,22).
What are the key properties of 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine?
7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 56673138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).