N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide

C16H16F3N3O — CID 97185005

IUPACN-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2nccnc2c1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)11-2-1-3-12(9-11)22-15(23)10-4-5-13-14(8-10)21-7-6-20-13/h4-8,11-12H,1-3,9H2,(H,22,23)/t11-,12+/m0/s1
InChIKeyGBOFQAYBOIPXIG-NWDGAFQWSA-N
MW323.32 g/mol
LogP3.48
Rot. Bonds2

About N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide

N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide (PubChem CID 97185005) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
PubChem CID97185005
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2nccnc2c1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)11-2-1-3-12(9-11)22-15(23)10-4-5-13-14(8-10)21-7-6-20-13/h4-8,11-12H,1-3,9H2,(H,22,23)/t11-,12+/m0/s1
InChIKeyGBOFQAYBOIPXIG-NWDGAFQWSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
CID 99783439
2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
CID 55534849
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 25348383
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide (CID 97185005) is N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide is O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2nccnc2c1.
What is the InChIKey of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide?
The InChIKey is GBOFQAYBOIPXIG-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)11-2-1-3-12(9-11)22-15(23)10-4-5-13-14(8-10)21-7-6-20-13/h4-8,11-12H,1-3,9H2,(H,22,23)/t11-,12+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide?
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 97185005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).