[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate

C22H23N3O3 — CID 94070043

IUPAC[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
SMILESCc1ccc(Nc2nc3ccccc3nc2C(=O)OC[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C22H23N3O3/c1-14-9-10-17(15(2)12-14)24-21-20(22(26)28-13-16-6-5-11-27-16)23-18-7-3-4-8-19(18)25-21/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyGTVFWCAELTWUKC-MRXNPFEDSA-N
MW377.44 g/mol
LogP4.33
Rot. Bonds5

About [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate

[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate (PubChem CID 94070043) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
PubChem CID94070043
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
SMILESCc1ccc(Nc2nc3ccccc3nc2C(=O)OC[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C22H23N3O3/c1-14-9-10-17(15(2)12-14)24-21-20(22(26)28-13-16-6-5-11-27-16)23-18-7-3-4-8-19(18)25-21/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyGTVFWCAELTWUKC-MRXNPFEDSA-N
XLogP4.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-oxolan-2-yl]methyl 3-(2,4-dimethoxyanilino)quinoxaline-2-carboxylate
CID 94070056
oxolan-2-ylmethyl 3-(3,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50820793
[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate
CID 94090855
[(2R)-oxolan-2-yl]methyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 94070055
[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021017
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369
[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 95635933
[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 39902956
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate (CID 94070043) is [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate is Cc1ccc(Nc2nc3ccccc3nc2C(=O)OC[C@H]2CCCO2)c(C)c1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
The InChIKey is GTVFWCAELTWUKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-9-10-17(15(2)12-14)24-21-20(22(26)28-13-16-6-5-11-27-16)23-18-7-3-4-8-19(18)25-21/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 94070043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).