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

C23H24F2N4OS — CID 118303084

IUPACN-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
SMILESO=C(NCC(c1scnc1C1CC1)N1CCC(F)(F)CC1)c1cccc2ncccc12
InChIInChI=1S/C23H24F2N4OS/c24-23(25)8-11-29(12-9-23)19(21-20(15-6-7-15)28-14-31-21)13-27-22(30)17-3-1-5-18-16(17)4-2-10-26-18/h1-5,10,14-15,19H,6-9,11-13H2,(H,27,30)
InChIKeyHNBKKJRIQIOELO-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.77
Rot. Bonds6

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

N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide (PubChem CID 118303084) has the molecular formula C23H24F2N4OS and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
PubChem CID118303084
Molecular FormulaC23H24F2N4OS
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
SMILESO=C(NCC(c1scnc1C1CC1)N1CCC(F)(F)CC1)c1cccc2ncccc12
InChIInChI=1S/C23H24F2N4OS/c24-23(25)8-11-29(12-9-23)19(21-20(15-6-7-15)28-14-31-21)13-27-22(30)17-3-1-5-18-16(17)4-2-10-26-18/h1-5,10,14-15,19H,6-9,11-13H2,(H,27,30)
InChIKeyHNBKKJRIQIOELO-UHFFFAOYSA-N
XLogP4.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide (CID 118303084) is N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide is O=C(NCC(c1scnc1C1CC1)N1CCC(F)(F)CC1)c1cccc2ncccc12.
What is the InChIKey of N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
The InChIKey is HNBKKJRIQIOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4OS/c24-23(25)8-11-29(12-9-23)19(21-20(15-6-7-15)28-14-31-21)13-27-22(30)17-3-1-5-18-16(17)4-2-10-26-18/h1-5,10,14-15,19H,6-9,11-13H2,(H,27,30).
What are the key properties of N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 118303084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).