6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine

C19H20N4O — CID 56698151

IUPAC6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
SMILESCc1c(-c2cccc3c2OC(C)(C)C3)ccc2nc(N)nc(N)c12
InChIInChI=1S/C19H20N4O/c1-10-12(7-8-14-15(10)17(20)23-18(21)22-14)13-6-4-5-11-9-19(2,3)24-16(11)13/h4-8H,9H2,1-3H3,(H4,20,21,22,23)
InChIKeyGQOZMIPZQULQPU-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.48
Rot. Bonds1

About 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine

6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine (PubChem CID 56698151) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
PubChem CID56698151
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
SMILESCc1c(-c2cccc3c2OC(C)(C)C3)ccc2nc(N)nc(N)c12
InChIInChI=1S/C19H20N4O/c1-10-12(7-8-14-15(10)17(20)23-18(21)22-14)13-6-4-5-11-9-19(2,3)24-16(11)13/h4-8H,9H2,1-3H3,(H4,20,21,22,23)
InChIKeyGQOZMIPZQULQPU-UHFFFAOYSA-N
XLogP3.48
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-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 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine?
The IUPAC name of 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine (CID 56698151) is 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine.
What is the SMILES notation for 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine?
The canonical SMILES for 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine is Cc1c(-c2cccc3c2OC(C)(C)C3)ccc2nc(N)nc(N)c12.
What is the InChIKey of 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine?
The InChIKey is GQOZMIPZQULQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-10-12(7-8-14-15(10)17(20)23-18(21)22-14)13-6-4-5-11-9-19(2,3)24-16(11)13/h4-8H,9H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine?
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine is sourced from PubChem (CID 56698151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).