8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

C18H18F3N3O — CID 50969483

IUPAC8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)CC2)CN1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-3-1-2-12-14(4-7-22-16(12)13)24-8-5-17(6-9-24)10-15(25)23-11-17/h1-4,7H,5-6,8-11H2,(H,23,25)
InChIKeyPFZVBRONWPPKOB-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.36
Rot. Bonds1

About 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50969483) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50969483
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)CC2)CN1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)13-3-1-2-12-14(4-7-22-16(12)13)24-8-5-17(6-9-24)10-15(25)23-11-17/h1-4,7H,5-6,8-11H2,(H,23,25)
InChIKeyPFZVBRONWPPKOB-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-(4-quinolin-4-ylpiperazin-1-yl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 66560611
2-(1-adamantyl)-N-quinolin-5-ylacetamide
CID 2963764
1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-
CID 9885185
3-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylpropanamide
CID 10571388
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
CID 10619345
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide
CID 10643934
3-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
CID 10739200
2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide
CID 10784684
2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide
CID 10834293
N-(1H-indol-4-yl)-1-(3-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11531155
N-(2-(pyridin-2-yl)ethyl)-1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidine-4-carboxamide
CID 11568741
N-(quinolin-3-yl)-1-(3-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11696967

Frequently Asked Questions

What is the IUPAC name of 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 50969483) is 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)CC2)CN1.
What is the InChIKey of 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PFZVBRONWPPKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)13-3-1-2-12-14(4-7-22-16(12)13)24-8-5-17(6-9-24)10-15(25)23-11-17/h1-4,7H,5-6,8-11H2,(H,23,25).
What are the key properties of 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 349.36 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(trifluoromethyl)quinolin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50969483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).