2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C17H16F3N3O2 — CID 138806582

IUPAC2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)C2)CN1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-11-13(4-6-21-15(11)12)23-7-5-16(10-23)9-22-14(24)8-25-16/h1-4,6H,5,7-10H2,(H,22,24)
InChIKeyBBZNTNGPIFTHEO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.35
Rot. Bonds1

About 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 138806582) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID138806582
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)C2)CN1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-11-13(4-6-21-15(11)12)23-7-5-16(10-23)9-22-14(24)8-25-16/h1-4,6H,5,7-10H2,(H,22,24)
InChIKeyBBZNTNGPIFTHEO-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154565788
2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine
CID 56881153
2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139599543
2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598472
4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline
CID 167910941
(1S,5R,6R)-3-[8-(trifluoromethyl)quinolin-4-yl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137337122
1-[(1-methylpyrazol-4-yl)methyl]-8-[8-(trifluoromethyl)quinolin-4-yl]-1,8-diazaspiro[4.5]decane
CID 70732168
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849
2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 118962985
2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138386250
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 153398901

Frequently Asked Questions

What is the IUPAC name of 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 138806582) is 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)C2)CN1.
What is the InChIKey of 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is BBZNTNGPIFTHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-11-13(4-6-21-15(11)12)23-7-5-16(10-23)9-22-14(24)8-25-16/h1-4,6H,5,7-10H2,(H,22,24).
What are the key properties of 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 351.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(trifluoromethyl)quinolin-4-yl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 138806582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).