4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C21H20F5N5O2 — CID 123206109

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cnn(C(F)F)c4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C21H20F5N5O2/c1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12/h2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32)
InChIKeyDQYKLTXNJFBRJO-UHFFFAOYSA-N
MW469.41 g/mol
LogP3.74
Rot. Bonds5

About 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 123206109) has the molecular formula C21H20F5N5O2 and a molecular weight of 469.41 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID123206109
Molecular FormulaC21H20F5N5O2
Molecular Weight469.41 g/mol
Exact Mass469.15
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cnn(C(F)F)c4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C21H20F5N5O2/c1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12/h2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32)
InChIKeyDQYKLTXNJFBRJO-UHFFFAOYSA-N
XLogP3.74
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide with MolForge

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Related Compounds

Quinoline derivative 6
CID 89554734
Quinoline derivative 4
CID 89554759
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660867
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 53316426
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
(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
N-(5-Isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 9908720
N-(5-Quinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 10430847
4-(4-Fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565884

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 123206109) is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is CC1CN(Cc2ccc3c(-c4cnn(C(F)F)c4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is DQYKLTXNJFBRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F5N5O2/c1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12/h2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32).
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 469.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 123206109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).