N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride

C24H30Cl2FN5OS — CID 10098375

About N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride

N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride (PubChem CID 10098375) has the molecular formula C24H30Cl2FN5OS and a molecular weight of 526.51 g/mol. Its IUPAC name is N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride.

Molecular Properties

• Compound Name: N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride
• PubChem CID: 10098375
• Molecular Formula: C24H30Cl2FN5OS
• Molecular Weight: 526.51 g/mol
• Exact Mass: 525.15
• IUPAC Name: N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride
• SMILES: COc1ccc2ncc(F)c(CCN3CCC(Nc4ccc5c(n4)NCCS5)CC3)c2c1.Cl.Cl
• InChI: InChI=1S/C24H28FN5OS.2ClH/c1-31-17-2-3-21-19(14-17)18(20(25)15-27-21)8-12-30-10-6-16(7-11-30)28-23-5-4-22-24(29-23)26-9-13-32-22;;/h2-5,14-16H,6-13H2,1H3,(H2,26,28,29);2*1H
• InChIKey: ABTOHCPRPLNIPH-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 62.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.51
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride?

The IUPAC name of N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride (CID 10098375) is N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride.

What is the SMILES notation for N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride?

The canonical SMILES for N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride is COc1ccc2ncc(F)c(CCN3CCC(Nc4ccc5c(n4)NCCS5)CC3)c2c1.Cl.Cl.

What is the InChIKey of N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride?

The InChIKey is ABTOHCPRPLNIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5OS.2ClH/c1-31-17-2-3-21-19(14-17)18(20(25)15-27-21)8-12-30-10-6-16(7-11-30)28-23-5-4-22-24(29-23)26-9-13-32-22;;/h2-5,14-16H,6-13H2,1H3,(H2,26,28,29);2*1H.

What are the key properties of N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride?

N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride has a molecular weight of 526.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-amine;dihydrochloride is sourced from PubChem (CID 10098375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).