N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide

C24H21ClF2N4O2 — CID 134465621

IUPACN-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1c(F)cc(F)cc1Cl)C2=O)c1cccc2nccnc12
InChIInChI=1S/C24H21ClF2N4O2/c25-17-12-14(26)13-18(27)21(17)31-11-8-24(23(31)33)6-4-15(5-7-24)30-22(32)16-2-1-3-19-20(16)29-10-9-28-19/h1-3,9-10,12-13,15H,4-8,11H2,(H,30,32)
InChIKeyXXVYBJMFRBDMNO-UHFFFAOYSA-N
MW470.91 g/mol
LogP4.66
Rot. Bonds3

About N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide

N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide (PubChem CID 134465621) has the molecular formula C24H21ClF2N4O2 and a molecular weight of 470.91 g/mol. Its IUPAC name is N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
PubChem CID134465621
Molecular FormulaC24H21ClF2N4O2
Molecular Weight470.91 g/mol
Exact Mass470.13
IUPAC NameN-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1c(F)cc(F)cc1Cl)C2=O)c1cccc2nccnc12
InChIInChI=1S/C24H21ClF2N4O2/c25-17-12-14(26)13-18(27)21(17)31-11-8-24(23(31)33)6-4-15(5-7-24)30-22(32)16-2-1-3-19-20(16)29-10-9-28-19/h1-3,9-10,12-13,15H,4-8,11H2,(H,30,32)
InChIKeyXXVYBJMFRBDMNO-UHFFFAOYSA-N
XLogP4.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122672295
5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 142335942
N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134479310
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122672262
3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 104614148
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
CID 104615428
N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
CID 136773882
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide (CID 134465621) is N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide is O=C(NC1CCC2(CC1)CCN(c1c(F)cc(F)cc1Cl)C2=O)c1cccc2nccnc12.
What is the InChIKey of N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide?
The InChIKey is XXVYBJMFRBDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N4O2/c25-17-12-14(26)13-18(27)21(17)31-11-8-24(23(31)33)6-4-15(5-7-24)30-22(32)16-2-1-3-19-20(16)29-10-9-28-19/h1-3,9-10,12-13,15H,4-8,11H2,(H,30,32).
What are the key properties of N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide?
N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide has a molecular weight of 470.91 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 134465621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).