N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

C23H26F2N4OS — CID 118303010

IUPACN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
SMILESCCCc1ncc(C(CNC(=O)c2cccc3ncccc23)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C23H26F2N4OS/c1-2-5-21-27-15-20(31-21)19(29-12-9-23(24,25)10-13-29)14-28-22(30)17-6-3-8-18-16(17)7-4-11-26-18/h3-4,6-8,11,15,19H,2,5,9-10,12-14H2,1H3,(H,28,30)
InChIKeyJGBDCMPOZIBUBM-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.85
Rot. Bonds7

About N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (PubChem CID 118303010) has the molecular formula C23H26F2N4OS and a molecular weight of 444.55 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
PubChem CID118303010
Molecular FormulaC23H26F2N4OS
Molecular Weight444.55 g/mol
Exact Mass444.18
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
SMILESCCCc1ncc(C(CNC(=O)c2cccc3ncccc23)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C23H26F2N4OS/c1-2-5-21-27-15-20(31-21)19(29-12-9-23(24,25)10-13-29)14-28-22(30)17-6-3-8-18-16(17)7-4-11-26-18/h3-4,6-8,11,15,19H,2,5,9-10,12-14H2,1H3,(H,28,30)
InChIKeyJGBDCMPOZIBUBM-UHFFFAOYSA-N
XLogP4.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (CID 118303010) is N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is CCCc1ncc(C(CNC(=O)c2cccc3ncccc23)N2CCC(F)(F)CC2)s1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
The InChIKey is JGBDCMPOZIBUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4OS/c1-2-5-21-27-15-20(31-21)19(29-12-9-23(24,25)10-13-29)14-28-22(30)17-6-3-8-18-16(17)7-4-11-26-18/h3-4,6-8,11,15,19H,2,5,9-10,12-14H2,1H3,(H,28,30).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide has a molecular weight of 444.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 118303010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).