4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine

C20H24F3N3O — CID 134713018

IUPAC4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine
SMILESCc1cc(N2CCC(N3CCOCC3)CC2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H24F3N3O/c1-14-12-19(17-3-2-15(20(21,22)23)13-18(17)24-14)26-6-4-16(5-7-26)25-8-10-27-11-9-25/h2-3,12-13,16H,4-11H2,1H3
InChIKeyWXZIOQLHSBNKID-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.86
Rot. Bonds2

About 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine

4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine (PubChem CID 134713018) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine
PubChem CID134713018
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine
SMILESCc1cc(N2CCC(N3CCOCC3)CC2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H24F3N3O/c1-14-12-19(17-3-2-15(20(21,22)23)13-18(17)24-14)26-6-4-16(5-7-26)25-8-10-27-11-9-25/h2-3,12-13,16H,4-11H2,1H3
InChIKeyWXZIOQLHSBNKID-UHFFFAOYSA-N
XLogP3.86
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
CID 135116153
5-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-1H-1,2,4-triazol-3-amine
CID 135091406
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-2-carboxylic acid
CID 23477096
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline
CID 23477111
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
CID 144714319
ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
CID 23477113
1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 135110183
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine
CID 7730550
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
CID 122554560
2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 171359188
2-methyl-4-(1,2,4-triazol-1-yl)-7-(trifluoromethyl)quinoline
CID 14837837

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine (CID 134713018) is 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine is Cc1cc(N2CCC(N3CCOCC3)CC2)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is WXZIOQLHSBNKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14-12-19(17-3-2-15(20(21,22)23)13-18(17)24-14)26-6-4-16(5-7-26)25-8-10-27-11-9-25/h2-3,12-13,16H,4-11H2,1H3.
What are the key properties of 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine?
4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 379.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 134713018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).