3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C26H34N6O2S — CID 172540274

About 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 172540274) has the molecular formula C26H34N6O2S and a molecular weight of 494.67 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 172540274
• Molecular Formula: C26H34N6O2S
• Molecular Weight: 494.67 g/mol
• Exact Mass: 494.25
• IUPAC Name: 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)CC1OC
• InChI: InChI=1S/C26H34N6O2S/c1-5-28-19-12-32(13-20(19)34-4)21-9-6-16-11-17(7-8-18(16)31-21)30-25(33)24-23(27)22-14(2)10-15(3)29-26(22)35-24/h6,9-10,17,19-20,28H,5,7-8,11-13,27H2,1-4H3,(H,30,33)
• InChIKey: PTFOPXTVBNBVQD-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 105.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.67
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 172540274) is 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is CCNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)CC1OC.

What is the InChIKey of 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is PTFOPXTVBNBVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2S/c1-5-28-19-12-32(13-20(19)34-4)21-9-6-16-11-17(7-8-18(16)31-21)30-25(33)24-23(27)22-14(2)10-15(3)29-26(22)35-24/h6,9-10,17,19-20,28H,5,7-8,11-13,27H2,1-4H3,(H,30,33).

What are the key properties of 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 494.67 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172540274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).