1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one

C17H17F3N2O3 — CID 95548927

IUPAC1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N1CCO[C@@H](C(F)(F)F)C1)cn2C
InChIInChI=1S/C17H17F3N2O3/c1-10-3-4-13-11(7-10)15(23)12(8-21(13)2)16(24)22-5-6-25-14(9-22)17(18,19)20/h3-4,7-8,14H,5-6,9H2,1-2H3/t14-/m1/s1
InChIKeyWRRHZFWEUVIPNC-CQSZACIVSA-N
MW354.33 g/mol
LogP2.25
Rot. Bonds1

About 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one

1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one (PubChem CID 95548927) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one.

Molecular Properties

Compound Name1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
PubChem CID95548927
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N1CCO[C@@H](C(F)(F)F)C1)cn2C
InChIInChI=1S/C17H17F3N2O3/c1-10-3-4-13-11(7-10)15(23)12(8-21(13)2)16(24)22-5-6-25-14(9-22)17(18,19)20/h3-4,7-8,14H,5-6,9H2,1-2H3/t14-/m1/s1
InChIKeyWRRHZFWEUVIPNC-CQSZACIVSA-N
XLogP2.25
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 56869394
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one
CID 91781708
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654878
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride
CID 154885407
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 97132778

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one?
The IUPAC name of 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one (CID 95548927) is 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one.
What is the SMILES notation for 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one?
The canonical SMILES for 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one is Cc1ccc2c(c1)c(=O)c(C(=O)N1CCO[C@@H](C(F)(F)F)C1)cn2C.
What is the InChIKey of 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one?
The InChIKey is WRRHZFWEUVIPNC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-10-3-4-13-11(7-10)15(23)12(8-21(13)2)16(24)22-5-6-25-14(9-22)17(18,19)20/h3-4,7-8,14H,5-6,9H2,1-2H3/t14-/m1/s1.
What are the key properties of 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one?
1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one has a molecular weight of 354.33 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one is sourced from PubChem (CID 95548927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).