benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

C23H24N2O2 — CID 23057926

IUPACbenzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCC1CNc2ccccc2N1C(=O)OCc1ccccc1.c1ccccc1
InChIInChI=1S/C17H18N2O2.C6H6/c1-13-11-18-15-9-5-6-10-16(15)19(13)17(20)21-12-14-7-3-2-4-8-14;1-2-4-6-5-3-1/h2-10,13,18H,11-12H2,1H3;1-6H
InChIKeyFNWRXLMUQSNSJY-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.33
Rot. Bonds2

About benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate (PubChem CID 23057926) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate.

Molecular Properties

Compound Namebenzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
PubChem CID23057926
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Namebenzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCC1CNc2ccccc2N1C(=O)OCc1ccccc1.c1ccccc1
InChIInChI=1S/C17H18N2O2.C6H6/c1-13-11-18-15-9-5-6-10-16(15)19(13)17(20)21-12-14-7-3-2-4-8-14;1-2-4-6-5-3-1/h2-10,13,18H,11-12H2,1H3;1-6H
InChIKeyFNWRXLMUQSNSJY-UHFFFAOYSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 175563669
(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylate
CID 6921644
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl (5S)-5-carbamoyl-2-oxoimidazolidine-1-carboxylate
CID 143123458
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 142774277
dibenzyl 2,5-dioxo-3,6-bis(3-oxobutyl)piperazine-1,4-dicarboxylate
CID 59837887
(2S,4R,5R)-2,5-dimethyl-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 178194460

Frequently Asked Questions

What is the IUPAC name of benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The IUPAC name of benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate (CID 23057926) is benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate.
What is the SMILES notation for benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The canonical SMILES for benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate is CC1CNc2ccccc2N1C(=O)OCc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The InChIKey is FNWRXLMUQSNSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.C6H6/c1-13-11-18-15-9-5-6-10-16(15)19(13)17(20)21-12-14-7-3-2-4-8-14;1-2-4-6-5-3-1/h2-10,13,18H,11-12H2,1H3;1-6H.
What are the key properties of benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate is sourced from PubChem (CID 23057926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).