7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C18H17F2N3O2 — CID 131695009

IUPAC7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cnc2ccccc2c1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C18H17F2N3O2/c19-18(20)9-17(5-6-21-16(17)25)10-23(11-18)15(24)13-7-12-3-1-2-4-14(12)22-8-13/h1-4,7-8H,5-6,9-11H2,(H,21,25)
InChIKeyVFBNOBQMPJKGLO-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.22
Rot. Bonds1

About 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695009) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695009
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cnc2ccccc2c1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C18H17F2N3O2/c19-18(20)9-17(5-6-21-16(17)25)10-23(11-18)15(24)13-7-12-3-1-2-4-14(12)22-8-13/h1-4,7-8H,5-6,9-11H2,(H,21,25)
InChIKeyVFBNOBQMPJKGLO-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695166
9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695168
9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695132
2-phenyl-1-pyridin-2-yl-7-(quinoline-3-carbonyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 24953977
(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
CID 129488364
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
(6R)-N-hydroxy-2'-oxo-N-quinolin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624596
(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398981
N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132999
(5R)-3-methyl-13-(2-methylpropyl)-9-(quinoline-3-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97439756
9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131658395
1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72837196

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131695009) is 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(c1cnc2ccccc2c1)N1CC(F)(F)CC2(CCNC2=O)C1.
What is the InChIKey of 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VFBNOBQMPJKGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-18(20)9-17(5-6-21-16(17)25)10-23(11-18)15(24)13-7-12-3-1-2-4-14(12)22-8-13/h1-4,7-8H,5-6,9-11H2,(H,21,25).
What are the key properties of 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 345.35 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).