morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone

C22H26F3N3O2 — CID 164580422

IUPACmorpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone
SMILESO=C(C1CCC(CNc2ccnc3cc(C(F)(F)F)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C22H26F3N3O2/c23-22(24,25)17-5-6-18-19(7-8-26-20(18)13-17)27-14-15-1-3-16(4-2-15)21(29)28-9-11-30-12-10-28/h5-8,13,15-16H,1-4,9-12,14H2,(H,26,27)
InChIKeyPLZCOFJJQSZFKG-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.33
Rot. Bonds4

About morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone

morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone (PubChem CID 164580422) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone
PubChem CID164580422
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Namemorpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone
SMILESO=C(C1CCC(CNc2ccnc3cc(C(F)(F)F)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C22H26F3N3O2/c23-22(24,25)17-5-6-18-19(7-8-26-20(18)13-17)27-14-15-1-3-16(4-2-15)21(29)28-9-11-30-12-10-28/h5-8,13,15-16H,1-4,9-12,14H2,(H,26,27)
InChIKeyPLZCOFJJQSZFKG-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone (CID 164580422) is morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone is O=C(C1CCC(CNc2ccnc3cc(C(F)(F)F)ccc23)CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone?
The InChIKey is PLZCOFJJQSZFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c23-22(24,25)17-5-6-18-19(7-8-26-20(18)13-17)27-14-15-1-3-16(4-2-15)21(29)28-9-11-30-12-10-28/h5-8,13,15-16H,1-4,9-12,14H2,(H,26,27).
What are the key properties of morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone?
morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone has a molecular weight of 421.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone is sourced from PubChem (CID 164580422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).