6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine

C25H28F3N3O — CID 174337766

IUPAC6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
SMILESCC[C@H]1COCCN1c1ccc2nccc(N[C@H](C)c3cccc(C(F)(F)F)c3C)c2c1
InChIInChI=1S/C25H28F3N3O/c1-4-18-15-32-13-12-31(18)19-8-9-23-21(14-19)24(10-11-29-23)30-17(3)20-6-5-7-22(16(20)2)25(26,27)28/h5-11,14,17-18H,4,12-13,15H2,1-3H3,(H,29,30)/t17-,18+/m1/s1
InChIKeyRBDRAPZDHUWUIG-MSOLQXFVSA-N
MW443.51 g/mol
LogP6.35
Rot. Bonds5

About 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine

6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine (PubChem CID 174337766) has the molecular formula C25H28F3N3O and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
PubChem CID174337766
Molecular FormulaC25H28F3N3O
Molecular Weight443.51 g/mol
Exact Mass443.22
IUPAC Name6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
SMILESCC[C@H]1COCCN1c1ccc2nccc(N[C@H](C)c3cccc(C(F)(F)F)c3C)c2c1
InChIInChI=1S/C25H28F3N3O/c1-4-18-15-32-13-12-31(18)19-8-9-23-21(14-19)24(10-11-29-23)30-17(3)20-6-5-7-22(16(20)2)25(26,27)28/h5-11,14,17-18H,4,12-13,15H2,1-3H3,(H,29,30)/t17-,18+/m1/s1
InChIKeyRBDRAPZDHUWUIG-MSOLQXFVSA-N
XLogP6.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
The IUPAC name of 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine (CID 174337766) is 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine.
What is the SMILES notation for 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
The canonical SMILES for 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine is CC[C@H]1COCCN1c1ccc2nccc(N[C@H](C)c3cccc(C(F)(F)F)c3C)c2c1.
What is the InChIKey of 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
The InChIKey is RBDRAPZDHUWUIG-MSOLQXFVSA-N. The full InChI is InChI=1S/C25H28F3N3O/c1-4-18-15-32-13-12-31(18)19-8-9-23-21(14-19)24(10-11-29-23)30-17(3)20-6-5-7-22(16(20)2)25(26,27)28/h5-11,14,17-18H,4,12-13,15H2,1-3H3,(H,29,30)/t17-,18+/m1/s1.
What are the key properties of 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?
6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine has a molecular weight of 443.51 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethylmorpholin-4-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine is sourced from PubChem (CID 174337766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).