7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one

C23H23F2N3O — CID 171444994

IUPAC7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CC4(C3)CN(c3ccc(F)cc3F)C4)cc2[nH]c1=O
InChIInChI=1S/C23H23F2N3O/c1-2-16-8-17-4-3-15(7-20(17)26-22(16)29)10-27-11-23(12-27)13-28(14-23)21-6-5-18(24)9-19(21)25/h3-9H,2,10-14H2,1H3,(H,26,29)
InChIKeyHRBJZAGCJUNGLJ-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.69
Rot. Bonds4

About 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one

7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one (PubChem CID 171444994) has the molecular formula C23H23F2N3O and a molecular weight of 395.45 g/mol. Its IUPAC name is 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one
PubChem CID171444994
Molecular FormulaC23H23F2N3O
Molecular Weight395.45 g/mol
Exact Mass395.18
IUPAC Name7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CC4(C3)CN(c3ccc(F)cc3F)C4)cc2[nH]c1=O
InChIInChI=1S/C23H23F2N3O/c1-2-16-8-17-4-3-15(7-20(17)26-22(16)29)10-27-11-23(12-27)13-28(14-23)21-6-5-18(24)9-19(21)25/h3-9H,2,10-14H2,1H3,(H,26,29)
InChIKeyHRBJZAGCJUNGLJ-UHFFFAOYSA-N
XLogP3.69
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
CID 70269014
3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 59474843
7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 168900151
5-[6-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171444924
[4-[(3-ethyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-[(2S)-2-methylcyclopentyl]-oxoazanium
CID 177022420
3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one
CID 70291906
3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 56705728
7-ethyl-3-hexyl-1H-quinolin-2-one
CID 70425300
3-(3,4-difluorophenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59392991
5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 171445036
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 166082534
3-ethyl-7-(ethylamino)-1H-quinolin-2-one
CID 170712582

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one?
The IUPAC name of 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one (CID 171444994) is 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one?
The canonical SMILES for 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one is CCc1cc2ccc(CN3CC4(C3)CN(c3ccc(F)cc3F)C4)cc2[nH]c1=O.
What is the InChIKey of 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one?
The InChIKey is HRBJZAGCJUNGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O/c1-2-16-8-17-4-3-15(7-20(17)26-22(16)29)10-27-11-23(12-27)13-28(14-23)21-6-5-18(24)9-19(21)25/h3-9H,2,10-14H2,1H3,(H,26,29).
What are the key properties of 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one?
7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one has a molecular weight of 395.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2,4-difluorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-3-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 171444994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).