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

C23H29FN6O3S2 — CID 172540335

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

6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 172540335) has the molecular formula C23H29FN6O3S2 and a molecular weight of 520.66 g/mol. Its IUPAC name is 6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
• PubChem CID: 172540335
• Molecular Formula: C23H29FN6O3S2
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.17
• IUPAC Name: 6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
• SMILES: COCCOC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)sc4c2N)CC3)CC1N
• InChI: InChI=1S/C23H29FN6O3S2/c1-11-27-23-20(34-11)18(26)19(35-23)22(31)28-13-3-4-16-12(7-13)8-14(24)21(29-16)30-9-15(25)17(10-30)33-6-5-32-2/h8,13,15,17H,3-7,9-10,25-26H2,1-2H3,(H,28,31)
• InChIKey: BWCAHQGATWHVKH-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 128.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 172540335) is 6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

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

The canonical SMILES for 6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is COCCOC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)sc4c2N)CC3)CC1N.

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

The InChIKey is BWCAHQGATWHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O3S2/c1-11-27-23-20(34-11)18(26)19(35-23)22(31)28-13-3-4-16-12(7-13)8-14(24)21(29-16)30-9-15(25)17(10-30)33-6-5-32-2/h8,13,15,17H,3-7,9-10,25-26H2,1-2H3,(H,28,31).

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

6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 520.66 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[2-[3-amino-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 172540335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).