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

C26H24F2N4O2S — CID 118303060

IUPACN-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
SMILESCc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCOC(c2ccc(F)cc2F)C1
InChIInChI=1S/C26H24F2N4O2S/c1-16-25(35-15-31-16)23(13-30-26(33)19-4-2-6-22-18(19)5-3-9-29-22)32-10-11-34-24(14-32)20-8-7-17(27)12-21(20)28/h2-9,12,15,23-24H,10-11,13-14H2,1H3,(H,30,33)
InChIKeyYVMKKVQJAADJDE-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.82
Rot. Bonds6

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

N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (PubChem CID 118303060) has the molecular formula C26H24F2N4O2S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
PubChem CID118303060
Molecular FormulaC26H24F2N4O2S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
SMILESCc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCOC(c2ccc(F)cc2F)C1
InChIInChI=1S/C26H24F2N4O2S/c1-16-25(35-15-31-16)23(13-30-26(33)19-4-2-6-22-18(19)5-3-9-29-22)32-10-11-34-24(14-32)20-8-7-17(27)12-21(20)28/h2-9,12,15,23-24H,10-11,13-14H2,1H3,(H,30,33)
InChIKeyYVMKKVQJAADJDE-UHFFFAOYSA-N
XLogP4.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303578
N-{2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303630
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303688
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671355
N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]quinoline-5-carboxamide
CID 138671585
N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138670674
[(3S,5S)-5-amino-1-[3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 59455670
N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
CID 118289535
N-{2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-(morpholin-4-yl)ethyl}quinoline-6-carboxamide
CID 118303005
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
CID 118303010
N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
CID 118303084
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(3,5-difluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303530

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (CID 118303060) is N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCOC(c2ccc(F)cc2F)C1.
What is the InChIKey of N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
The InChIKey is YVMKKVQJAADJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2S/c1-16-25(35-15-31-16)23(13-30-26(33)19-4-2-6-22-18(19)5-3-9-29-22)32-10-11-34-24(14-32)20-8-7-17(27)12-21(20)28/h2-9,12,15,23-24H,10-11,13-14H2,1H3,(H,30,33).
What are the key properties of N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?
N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 118303060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).