6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

C23H24N4O2S — CID 10194617

IUPAC6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C23H24N4O2S/c1-5-28-21-11-18-19(12-22(21)29-6-2)24-14(3)25-23(18)27-17-9-7-8-16(10-17)20-13-30-15(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27)
InChIKeyINMBKJSYCMSQID-UHFFFAOYSA-N
MW420.54 g/mol
LogP5.91
Rot. Bonds7

About 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10194617) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10194617
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C23H24N4O2S/c1-5-28-21-11-18-19(12-22(21)29-6-2)24-14(3)25-23(18)27-17-9-7-8-16(10-17)20-13-30-15(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27)
InChIKeyINMBKJSYCMSQID-UHFFFAOYSA-N
XLogP5.91
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10194617) is 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2nc(C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is INMBKJSYCMSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-5-28-21-11-18-19(12-22(21)29-6-2)24-14(3)25-23(18)27-17-9-7-8-16(10-17)20-13-30-15(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27).
What are the key properties of 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 420.54 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10194617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).