6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine

C23H24N4O2S — CID 135336427

About 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine (PubChem CID 135336427) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine
• PubChem CID: 135336427
• Molecular Formula: C23H24N4O2S
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.16
• IUPAC Name: 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine
• SMILES: COc1cc2nc(C)nc(NC(C)c3ccc(-c4cncc(C)c4)s3)c2cc1OC
• InChI: InChI=1S/C23H24N4O2S/c1-13-8-16(12-24-11-13)22-7-6-21(30-22)14(2)25-23-17-9-19(28-4)20(29-5)10-18(17)26-15(3)27-23/h6-12,14H,1-5H3,(H,25,26,27)
• InChIKey: GSJYBSKMUWDVGA-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 69.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine (CID 135336427) is 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine.

What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3ccc(-c4cncc(C)c4)s3)c2cc1OC.

What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

The InChIKey is GSJYBSKMUWDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-13-8-16(12-24-11-13)22-7-6-21(30-22)14(2)25-23-17-9-19(28-4)20(29-5)10-18(17)26-15(3)27-23/h6-12,14H,1-5H3,(H,25,26,27).

What are the key properties of 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine?

6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 420.54 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 135336427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).