2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide

C17H21N3O — CID 95598062

IUPAC2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@H]3CCC[C@@H]3C)cc2nc1C
InChIInChI=1S/C17H21N3O/c1-10-5-4-6-14(10)20-17(21)13-7-8-15-16(9-13)19-12(3)11(2)18-15/h7-10,14H,4-6H2,1-3H3,(H,20,21)/t10-,14-/m0/s1
InChIKeyNCULQPFHSYOCOQ-HZMBPMFUSA-N
MW283.38 g/mol
LogP3.17
Rot. Bonds2

About 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide (PubChem CID 95598062) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
PubChem CID95598062
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@H]3CCC[C@@H]3C)cc2nc1C
InChIInChI=1S/C17H21N3O/c1-10-5-4-6-14(10)20-17(21)13-7-8-15-16(9-13)19-12(3)11(2)18-15/h7-10,14H,4-6H2,1-3H3,(H,20,21)/t10-,14-/m0/s1
InChIKeyNCULQPFHSYOCOQ-HZMBPMFUSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 93050560
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
4-hydrazinyl-N-(2-methylcyclopentyl)benzamide
CID 63279138
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 11923071
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide (CID 95598062) is 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)N[C@H]3CCC[C@@H]3C)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide?
The InChIKey is NCULQPFHSYOCOQ-HZMBPMFUSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-5-4-6-14(10)20-17(21)13-7-8-15-16(9-13)19-12(3)11(2)18-15/h7-10,14H,4-6H2,1-3H3,(H,20,21)/t10-,14-/m0/s1.
What are the key properties of 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 95598062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).