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

C24H23N7O2S — CID 135336409

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

6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine (PubChem CID 135336409) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
• PubChem CID: 135336409
• Molecular Formula: C24H23N7O2S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.16
• IUPAC Name: 6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
• SMILES: COc1cc2nc(C)nc(NC(C)c3ccc(-c4ccccc4-c4nn[nH]n4)s3)c2cc1OC
• InChI: InChI=1S/C24H23N7O2S/c1-13(25-23-17-11-19(32-3)20(33-4)12-18(17)26-14(2)27-23)21-9-10-22(34-21)15-7-5-6-8-16(15)24-28-30-31-29-24/h5-13H,1-4H3,(H,25,26,27)(H,28,29,30,31)
• InChIKey: YLXBJYFCIQXNAS-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 110.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine (CID 135336409) is 6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine.

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

The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3ccc(-c4ccccc4-c4nn[nH]n4)s3)c2cc1OC.

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

The InChIKey is YLXBJYFCIQXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-13(25-23-17-11-19(32-3)20(33-4)12-18(17)26-14(2)27-23)21-9-10-22(34-21)15-7-5-6-8-16(15)24-28-30-31-29-24/h5-13H,1-4H3,(H,25,26,27)(H,28,29,30,31).

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

6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 473.56 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 135336409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).