methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

C13H16N2O3 — CID 137348876

IUPACmethyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCC(=O)N1CCN(C(=O)OC)c2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3
InChIKeyWXZWPPNMQAIVTN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.02
Rot. Bonds1

About methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 137348876) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID137348876
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCC(=O)N1CCN(C(=O)OC)c2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3
InChIKeyWXZWPPNMQAIVTN-UHFFFAOYSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 110669768
1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4048075
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 67472733
dimethyl 6H-benzo[d][1,3]benzodiazepine-5,7-dicarboxylate
CID 67225475
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621
1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
CID 142121679
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
methyl (5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepine-1-carboxylate
CID 114337121

Frequently Asked Questions

What is the IUPAC name of methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate (CID 137348876) is methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate is CCC(=O)N1CCN(C(=O)OC)c2ccccc21.
What is the InChIKey of methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is WXZWPPNMQAIVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate?
methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 137348876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).