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

C25H25N3O2S — CID 142433044

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

6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine (PubChem CID 142433044) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
• PubChem CID: 142433044
• Molecular Formula: C25H25N3O2S
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.17
• IUPAC Name: 6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
• SMILES: COc1cc2nc(C)nc(NC(C)c3ccc(/C=C/c4ccccc4)s3)c2cc1OC
• InChI: InChI=1S/C25H25N3O2S/c1-16(24-13-12-19(31-24)11-10-18-8-6-5-7-9-18)26-25-20-14-22(29-3)23(30-4)15-21(20)27-17(2)28-25/h5-16H,1-4H3,(H,26,27,28)/b11-10+
• InChIKey: FPXJHYJIRLQPIM-ZHACJKMWSA-N
• XLogP: 6.36
• TPSA: 56.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine (CID 142433044) is 6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine.

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

The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3ccc(/C=C/c4ccccc4)s3)c2cc1OC.

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

The InChIKey is FPXJHYJIRLQPIM-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-16(24-13-12-19(31-24)11-10-18-8-6-5-7-9-18)26-25-20-14-22(29-3)23(30-4)15-21(20)27-17(2)28-25/h5-16H,1-4H3,(H,26,27,28)/b11-10+.

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

6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 431.56 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 142433044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).