ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate

C18H18N2O2 — CID 10780136

IUPACethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1=Nc2ccccc2NC1c1ccc(C)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)17-16(13-10-8-12(2)9-11-13)19-14-6-4-5-7-15(14)20-17/h4-11,16,19H,3H2,1-2H3
InChIKeyHWWDXDZTTXWFNI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.80
Rot. Bonds3

About ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate

ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate (PubChem CID 10780136) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate
PubChem CID10780136
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1=Nc2ccccc2NC1c1ccc(C)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)17-16(13-10-8-12(2)9-11-13)19-14-6-4-5-7-15(14)20-17/h4-11,16,19H,3H2,1-2H3
InChIKeyHWWDXDZTTXWFNI-UHFFFAOYSA-N
XLogP3.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 716457
diethyl (4E,15E)-3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene-4,15-dicarboxylate
CID 11973529
ethyl 2-(4-hydroxyphenyl)-4-methyl-2,3-dihydro-1H-1,5-benzodiazepine-3-carboxylate
CID 11508094
ethyl (4S)-4-(4-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 867966
ethyl (4R)-4-(4-methylphenyl)-2-oxo-6-[(2-phenylethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92661045
ethyl 6-methyl-2-(4-methylphenyl)-3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate
CID 23932086
ethyl (4S)-4-(4-methylphenyl)-2-oxo-6-[[(3R)-3-phenylpiperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 93185301
ethyl (4S)-6-[(N-ethylanilino)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92690788
ethyl (4R)-6-[(N-ethylanilino)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92690787
ethyl (4S,4aS)-2-methyl-4-(4-methylphenyl)-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 1151217
ethyl 4-(4-methylphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 45258596
ethyl (4R,5S)-5-(4-methylbenzoyl)-4-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 1312135

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate (CID 10780136) is ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate is CCOC(=O)C1=Nc2ccccc2NC1c1ccc(C)cc1.
What is the InChIKey of ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
The InChIKey is HWWDXDZTTXWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-18(21)17-16(13-10-8-12(2)9-11-13)19-14-6-4-5-7-15(14)20-17/h4-11,16,19H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate is sourced from PubChem (CID 10780136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).