N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide

C26H23FN4O3S — CID 10278092

IUPACN-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide
SMILESCc1nc(C(=O)N2CCOCC2CNC(=O)c2cccc3cccnc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H23FN4O3S/c1-16-30-23(24(35-16)18-7-9-19(27)10-8-18)26(33)31-12-13-34-15-20(31)14-29-25(32)21-6-2-4-17-5-3-11-28-22(17)21/h2-11,20H,12-15H2,1H3,(H,29,32)
InChIKeySPPSDCLEZVRWCO-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.08
Rot. Bonds5

About N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide

N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide (PubChem CID 10278092) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide
PubChem CID10278092
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC NameN-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide
SMILESCc1nc(C(=O)N2CCOCC2CNC(=O)c2cccc3cccnc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H23FN4O3S/c1-16-30-23(24(35-16)18-7-9-19(27)10-8-18)26(33)31-12-13-34-15-20(31)14-29-25(32)21-6-2-4-17-5-3-11-28-22(17)21/h2-11,20H,12-15H2,1H3,(H,29,32)
InChIKeySPPSDCLEZVRWCO-UHFFFAOYSA-N
XLogP4.08
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperazin-2-yl]methyl]quinoline-8-carboxamide
CID 10163381
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide
CID 45254759
N-[[5,5-difluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 71715391
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide
CID 91133140
N-[[(1S,3S,5S)-2-[5-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]quinoline-8-carboxamide
CID 67081607
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 91282091
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-2-methyl-1,3-benzoxazole-7-carboxamide
CID 91258637
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424
N-[[(1S,2S,5R)-3-[2-(4-methylphenyl)thiophene-3-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]quinoline-8-carboxamide
CID 66998566
N-[[(2S)-1-[2-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 25122848

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide (CID 10278092) is N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide is Cc1nc(C(=O)N2CCOCC2CNC(=O)c2cccc3cccnc23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide?
The InChIKey is SPPSDCLEZVRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-16-30-23(24(35-16)18-7-9-19(27)10-8-18)26(33)31-12-13-34-15-20(31)14-29-25(32)21-6-2-4-17-5-3-11-28-22(17)21/h2-11,20H,12-15H2,1H3,(H,29,32).
What are the key properties of N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide?
N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 10278092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).