N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

C27H26F2N4O2S — CID 134303578

About N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (PubChem CID 134303578) has the molecular formula C27H26F2N4O2S and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
• PubChem CID: 134303578
• Molecular Formula: C27H26F2N4O2S
• Molecular Weight: 508.59 g/mol
• Exact Mass: 508.17
• IUPAC Name: N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
• SMILES: Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2ccc(F)c(F)c2)CC1
• InChI: InChI=1S/C27H26F2N4O2S/c1-17-26(36-16-32-17)25(15-31-27(34)21-4-2-6-24-20(21)5-3-11-30-24)33-12-9-18(10-13-33)35-19-7-8-22(28)23(29)14-19/h2-8,11,14,16,18,25H,9-10,12-13,15H2,1H3,(H,31,34)
• InChIKey: SJODBNDWQKERIN-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

The IUPAC name of N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (CID 134303578) is N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

What is the SMILES notation for N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

The canonical SMILES for N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2ccc(F)c(F)c2)CC1.

What is the InChIKey of N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

The InChIKey is SJODBNDWQKERIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2S/c1-17-26(36-16-32-17)25(15-31-27(34)21-4-2-6-24-20(21)5-3-11-30-24)33-12-9-18(10-13-33)35-19-7-8-22(28)23(29)14-19/h2-8,11,14,16,18,25H,9-10,12-13,15H2,1H3,(H,31,34).

What are the key properties of N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide has a molecular weight of 508.59 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 134303578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).