N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide

C31H33N3O3 — CID 93050560

IUPACN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33N3O3/c1-19-6-5-7-26(20(19)2)34-31(35)23-12-17-27-28(18-23)33-30(22-10-15-25(37-4)16-11-22)29(32-27)21-8-13-24(36-3)14-9-21/h8-20,26H,5-7H2,1-4H3,(H,34,35)/t19-,20+,26+/m0/s1
InChIKeyGRZMUWHDOKMFTQ-OUDXUNEISA-N
MW495.62 g/mol
LogP6.54
Rot. Bonds6

About N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide (PubChem CID 93050560) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
PubChem CID93050560
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33N3O3/c1-19-6-5-7-26(20(19)2)34-31(35)23-12-17-27-28(18-23)33-30(22-10-15-25(37-4)16-11-22)29(32-27)21-8-13-24(36-3)14-9-21/h8-20,26H,5-7H2,1-4H3,(H,34,35)/t19-,20+,26+/m0/s1
InChIKeyGRZMUWHDOKMFTQ-OUDXUNEISA-N
XLogP6.54
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 92656948
N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
CID 59673793
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 11923071
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide (CID 93050560) is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide is COc1ccc(-c2nc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
The InChIKey is GRZMUWHDOKMFTQ-OUDXUNEISA-N. The full InChI is InChI=1S/C31H33N3O3/c1-19-6-5-7-26(20(19)2)34-31(35)23-12-17-27-28(18-23)33-30(22-10-15-25(37-4)16-11-22)29(32-27)21-8-13-24(36-3)14-9-21/h8-20,26H,5-7H2,1-4H3,(H,34,35)/t19-,20+,26+/m0/s1.
What are the key properties of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide has a molecular weight of 495.62 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 93050560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).