N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide

C25H28F2N4O2S — CID 118303005

IUPACN-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide
SMILESO=C(NCC(c1cnc(C2CCC(F)(F)CC2)s1)N1CCOCC1)c1cccc2ncccc12
InChIInChI=1S/C25H28F2N4O2S/c26-25(27)8-6-17(7-9-25)24-30-16-22(34-24)21(31-11-13-33-14-12-31)15-29-23(32)19-3-1-5-20-18(19)4-2-10-28-20/h1-5,10,16-17,21H,6-9,11-15H2,(H,29,32)
InChIKeyVNKMAMKPIJLLQF-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.79
Rot. Bonds6

About N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide

N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide (PubChem CID 118303005) has the molecular formula C25H28F2N4O2S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide
PubChem CID118303005
Molecular FormulaC25H28F2N4O2S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide
SMILESO=C(NCC(c1cnc(C2CCC(F)(F)CC2)s1)N1CCOCC1)c1cccc2ncccc12
InChIInChI=1S/C25H28F2N4O2S/c26-25(27)8-6-17(7-9-25)24-30-16-22(34-24)21(31-11-13-33-14-12-31)15-29-23(32)19-3-1-5-20-18(19)4-2-10-28-20/h1-5,10,16-17,21H,6-9,11-15H2,(H,29,32)
InChIKeyVNKMAMKPIJLLQF-UHFFFAOYSA-N
XLogP4.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide (CID 118303005) is N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide is O=C(NCC(c1cnc(C2CCC(F)(F)CC2)s1)N1CCOCC1)c1cccc2ncccc12.
What is the InChIKey of N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
The InChIKey is VNKMAMKPIJLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2S/c26-25(27)8-6-17(7-9-25)24-30-16-22(34-24)21(31-11-13-33-14-12-31)15-29-23(32)19-3-1-5-20-18(19)4-2-10-28-20/h1-5,10,16-17,21H,6-9,11-15H2,(H,29,32).
What are the key properties of N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide?
N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethyl]quinoline-5-carboxamide is sourced from PubChem (CID 118303005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).