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

C20H20F3N5O2S — CID 123335706

IUPAC4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cnc(N)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C20H20F3N5O2S/c1-10-7-28(9-17(30-10)20(21,22)23)8-11-2-3-12-13(16-6-26-19(25)31-16)5-15(18(24)29)27-14(12)4-11/h2-6,10,17H,7-9H2,1H3,(H2,24,29)(H2,25,26)
InChIKeyGBAXBONWYHTOEY-UHFFFAOYSA-N
MW451.47 g/mol
LogP3.19
Rot. Bonds4

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

4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 123335706) has the molecular formula C20H20F3N5O2S and a molecular weight of 451.47 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID123335706
Molecular FormulaC20H20F3N5O2S
Molecular Weight451.47 g/mol
Exact Mass451.13
IUPAC Name4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cnc(N)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C20H20F3N5O2S/c1-10-7-28(9-17(30-10)20(21,22)23)8-11-2-3-12-13(16-6-26-19(25)31-16)5-15(18(24)29)27-14(12)4-11/h2-6,10,17H,7-9H2,1H3,(H2,24,29)(H2,25,26)
InChIKeyGBAXBONWYHTOEY-UHFFFAOYSA-N
XLogP3.19
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Quinoline derivative 5
CID 89554809
4-(2-Cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565962
US10130633, Example 12
CID 86293019
4-(2-Methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554733
4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554739
4-(2-Ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554815
4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554836
4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554909
4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554934
N-{2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]-2-(morpholin-4-yl)ethyl}quinoline-6-carboxamide
CID 118303005
2-morpholin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3000167
Ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 2382294

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 123335706) is 4-(2-amino-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-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is CC1CN(Cc2ccc3c(-c4cnc(N)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is GBAXBONWYHTOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2S/c1-10-7-28(9-17(30-10)20(21,22)23)8-11-2-3-12-13(16-6-26-19(25)31-16)5-15(18(24)29)27-14(12)4-11/h2-6,10,17H,7-9H2,1H3,(H2,24,29)(H2,25,26).
What are the key properties of 4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 451.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-5-yl)-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 123335706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).