5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C25H33N7O3S — CID 172540398

About 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172540398) has the molecular formula C25H33N7O3S and a molecular weight of 511.65 g/mol. Its IUPAC name is 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 172540398
• Molecular Formula: C25H33N7O3S
• Molecular Weight: 511.65 g/mol
• Exact Mass: 511.24
• IUPAC Name: 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: COC(C)COC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)ncc4c2N)C3)CC1N
• InChI: InChI=1S/C25H33N7O3S/c1-13(34-3)12-35-20-11-32(10-18(20)26)21-7-4-15-8-16(5-6-19(15)31-21)30-24(33)23-22(27)17-9-28-14(2)29-25(17)36-23/h4,7,9,13,16,18,20H,5-6,8,10-12,26-27H2,1-3H3,(H,30,33)
• InChIKey: QORSOTFTFLCUFU-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 141.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172540398) is 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is COC(C)COC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)ncc4c2N)C3)CC1N.

What is the InChIKey of 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is QORSOTFTFLCUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3S/c1-13(34-3)12-35-20-11-32(10-18(20)26)21-7-4-15-8-16(5-6-19(15)31-21)30-24(33)23-22(27)17-9-28-14(2)29-25(17)36-23/h4,7,9,13,16,18,20H,5-6,8,10-12,26-27H2,1-3H3,(H,30,33).

What are the key properties of 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172540398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).