[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate

C22H23N3O4 — CID 94090855

IUPAC[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate
SMILESCCOc1ccccc1Nc1nc2ccccc2nc1C(=O)OC[C@H]1CCCO1
InChIInChI=1S/C22H23N3O4/c1-2-27-19-12-6-5-11-18(19)25-21-20(22(26)29-14-15-8-7-13-28-15)23-16-9-3-4-10-17(16)24-21/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyLDUBHQDETWATEI-OAHLLOKOSA-N
MW393.44 g/mol
LogP4.11
Rot. Bonds7

About [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate

[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate (PubChem CID 94090855) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate
PubChem CID94090855
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate
SMILESCCOc1ccccc1Nc1nc2ccccc2nc1C(=O)OC[C@H]1CCCO1
InChIInChI=1S/C22H23N3O4/c1-2-27-19-12-6-5-11-18(19)25-21-20(22(26)29-14-15-8-7-13-28-15)23-16-9-3-4-10-17(16)24-21/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyLDUBHQDETWATEI-OAHLLOKOSA-N
XLogP4.11
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-oxolan-2-yl]methyl 3-(2,4-dimethoxyanilino)quinoxaline-2-carboxylate
CID 94070056
[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 94070043
oxolan-2-ylmethyl 3-(3,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50820793
[(2R)-oxolan-2-yl]methyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 94070055
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 51952595
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-N-(2-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886776
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate (CID 94090855) is [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate is CCOc1ccccc1Nc1nc2ccccc2nc1C(=O)OC[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate?
The InChIKey is LDUBHQDETWATEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-27-19-12-6-5-11-18(19)25-21-20(22(26)29-14-15-8-7-13-28-15)23-16-9-3-4-10-17(16)24-21/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate?
[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 94090855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).