4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C21H20F4N4O2S — CID 123257201

IUPAC4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cnc(CF)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C21H20F4N4O2S/c1-11-8-29(10-18(31-11)21(23,24)25)9-12-2-3-13-14(17-7-27-19(6-22)32-17)5-16(20(26)30)28-15(13)4-12/h2-5,7,11,18H,6,8-10H2,1H3,(H2,26,30)
InChIKeyTWPMETSQTAHQLU-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.08
Rot. Bonds5

About 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 123257201) has the molecular formula C21H20F4N4O2S and a molecular weight of 468.48 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID123257201
Molecular FormulaC21H20F4N4O2S
Molecular Weight468.48 g/mol
Exact Mass468.12
IUPAC Name4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cnc(CF)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C21H20F4N4O2S/c1-11-8-29(10-18(31-11)21(23,24)25)9-12-2-3-13-14(17-7-27-19(6-22)32-17)5-16(20(26)30)28-15(13)4-12/h2-5,7,11,18H,6,8-10H2,1H3,(H2,26,30)
InChIKeyTWPMETSQTAHQLU-UHFFFAOYSA-N
XLogP4.08
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
(S)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545211
Quinoline derivative 5
CID 89554809
Morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57395267
Wgy5L2V9GM
CID 89545222
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
4-(1-Methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 123400501
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 16746144
4-(1-Ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565961
4-(2-Cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565962
4-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565963

Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 123257201) is 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is CC1CN(Cc2ccc3c(-c4cnc(CF)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1.
What is the InChIKey of 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is TWPMETSQTAHQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O2S/c1-11-8-29(10-18(31-11)21(23,24)25)9-12-2-3-13-14(17-7-27-19(6-22)32-17)5-16(20(26)30)28-15(13)4-12/h2-5,7,11,18H,6,8-10H2,1H3,(H2,26,30).
What are the key properties of 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 468.48 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 4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 123257201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).