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

C20H20F3N5O2 — CID 123953220

IUPAC7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cn[nH]c4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C20H20F3N5O2/c1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26)
InChIKeyKSNGKFZHOBHQPZ-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.88
Rot. Bonds4

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

7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 123953220) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
PubChem CID123953220
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
SMILESCC1CN(Cc2ccc3c(-c4cn[nH]c4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1
InChIInChI=1S/C20H20F3N5O2/c1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26)
InChIKeyKSNGKFZHOBHQPZ-UHFFFAOYSA-N
XLogP2.88
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
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
N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide
CID 10157758
2-morpholin-1-yl-N-{4-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)-pyridin-2-yl]phenyl}acetamide
CID 10158539
N-(1-methylpiperidin-4-yl)-4-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
CID 56666496
Wgy5L2V9GM
CID 89545222
N-(2-hydroxyethyl)-4-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 89783069
N-methyl-8-(1-methylindazol-6-yl)-1,6-naphthyridine-2-carboxamide
CID 118660673
(3,3-Difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717

Frequently Asked Questions

What is the IUPAC name of 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide (CID 123953220) is 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide is CC1CN(Cc2ccc3c(-c4cn[nH]c4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1.
What is the InChIKey of 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is KSNGKFZHOBHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26).
What are the key properties of 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 123953220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).