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

C15H16F3N2O+ — CID 7730550

IUPAC4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)c2ccc(C(F)(F)F)cc2[nH+]1
InChIInChI=1S/C15H15F3N2O/c1-10-8-14(20-4-6-21-7-5-20)12-3-2-11(15(16,17)18)9-13(12)19-10/h2-3,8-9H,4-7H2,1H3/p+1
InChIKeyWUYFYMMHEIVRKB-UHFFFAOYSA-O
MW297.30 g/mol
LogP2.82
Rot. Bonds1

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

4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine (PubChem CID 7730550) has the molecular formula C15H16F3N2O+ and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine
PubChem CID7730550
Molecular FormulaC15H16F3N2O+
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)c2ccc(C(F)(F)F)cc2[nH+]1
InChIInChI=1S/C15H15F3N2O/c1-10-8-14(20-4-6-21-7-5-20)12-3-2-11(15(16,17)18)9-13(12)19-10/h2-3,8-9H,4-7H2,1H3/p+1
InChIKeyWUYFYMMHEIVRKB-UHFFFAOYSA-O
XLogP2.82
TPSA26.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine
CID 134713018
4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 143086063
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(5-methyl-2-morpholin-4-ylphenyl)methanone;formaldehyde;methanol
CID 143013253
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117721
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine (CID 7730550) is 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine is Cc1cc(N2CCOCC2)c2ccc(C(F)(F)F)cc2[nH+]1.
What is the InChIKey of 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine?
The InChIKey is WUYFYMMHEIVRKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15F3N2O/c1-10-8-14(20-4-6-21-7-5-20)12-3-2-11(15(16,17)18)9-13(12)19-10/h2-3,8-9H,4-7H2,1H3/p+1.
What are the key properties of 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine?
4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine has a molecular weight of 297.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine is sourced from PubChem (CID 7730550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).