1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one

C16H17F3N2O2 — CID 177027614

IUPAC1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C16H17F3N2O2/c1-20-14-3-2-11(10-21-4-6-23-7-5-21)8-12(14)13(9-15(20)22)16(17,18)19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBSZZQHZFRGLWPF-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one

1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one (PubChem CID 177027614) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
PubChem CID177027614
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C16H17F3N2O2/c1-20-14-3-2-11(10-21-4-6-23-7-5-21)8-12(14)13(9-15(20)22)16(17,18)19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBSZZQHZFRGLWPF-UHFFFAOYSA-N
XLogP2.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 157042080
1,9-dimethyl-3-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopyrido[2,3-b]indole-6-carboxylic acid
CID 69180460
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one
CID 142129215
[6-(morpholin-4-ylmethyl)-1-(4-morpholin-4-ylphenyl)-4-oxoquinolin-3-yl] propanoate
CID 174452435
1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 170587450
6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 155449752
6-(morpholin-4-ylmethyl)-2-phenyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 155324550
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384991
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyran-4-one
CID 139559645

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one (CID 177027614) is 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one is Cn1c(=O)cc(C(F)(F)F)c2cc(CN3CCOCC3)ccc21.
What is the InChIKey of 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is BSZZQHZFRGLWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-20-14-3-2-11(10-21-4-6-23-7-5-21)8-12(14)13(9-15(20)22)16(17,18)19/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 326.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 177027614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).