3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane

C29H43N5O3S — CID 153402334

About 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane

3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane (PubChem CID 153402334) has the molecular formula C29H43N5O3S and a molecular weight of 541.76 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane
• PubChem CID: 153402334
• Molecular Formula: C29H43N5O3S
• Molecular Weight: 541.76 g/mol
• Exact Mass: 541.31
• IUPAC Name: 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane
• SMILES: CC.CC.COCCOC1CCN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)ccc4c2N)C3)C1
• InChI: InChI=1S/C25H31N5O3S.2C2H6/c1-15-3-6-19-22(26)23(34-25(19)27-15)24(31)28-17-5-7-20-16(13-17)4-8-21(29-20)30-10-9-18(14-30)33-12-11-32-2;2*1-2/h3-4,6,8,17-18H,5,7,9-14,26H2,1-2H3,(H,28,31);2*1-2H3
• InChIKey: MUPOOPGJLCMKKV-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 102.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.76
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane?

The IUPAC name of 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane (CID 153402334) is 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane.

What is the SMILES notation for 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane?

The canonical SMILES for 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane is CC.CC.COCCOC1CCN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)ccc4c2N)C3)C1.

What is the InChIKey of 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane?

The InChIKey is MUPOOPGJLCMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S.2C2H6/c1-15-3-6-19-22(26)23(34-25(19)27-15)24(31)28-17-5-7-20-16(13-17)4-8-21(29-20)30-10-9-18(14-30)33-12-11-32-2;2*1-2/h3-4,6,8,17-18H,5,7,9-14,26H2,1-2H3,(H,28,31);2*1-2H3.

What are the key properties of 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane?

3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane has a molecular weight of 541.76 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 153402334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).