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

C26H32N6O2S — CID 135337008

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

6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine (PubChem CID 135337008) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine
• PubChem CID: 135337008
• Molecular Formula: C26H32N6O2S
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.23
• IUPAC Name: 6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine
• SMILES: COc1cc2nc(C)nc(NC(C)c3ccc(-c4cnn(CCN5CCCC5)c4)s3)c2cc1OC
• InChI: InChI=1S/C26H32N6O2S/c1-17(28-26-20-13-22(33-3)23(34-4)14-21(20)29-18(2)30-26)24-7-8-25(35-24)19-15-27-32(16-19)12-11-31-9-5-6-10-31/h7-8,13-17H,5-6,9-12H2,1-4H3,(H,28,29,30)
• InChIKey: GZMFINSACKIZLG-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine (CID 135337008) is 6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine.

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

The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3ccc(-c4cnn(CCN5CCCC5)c4)s3)c2cc1OC.

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

The InChIKey is GZMFINSACKIZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-17(28-26-20-13-22(33-3)23(34-4)14-21(20)29-18(2)30-26)24-7-8-25(35-24)19-15-27-32(16-19)12-11-31-9-5-6-10-31/h7-8,13-17H,5-6,9-12H2,1-4H3,(H,28,29,30).

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

6,7-dimethoxy-2-methyl-N-[1-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 492.65 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 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-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thiophen-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 135337008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).