methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate

C19H20N2O5 — CID 141462644

IUPACmethyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)CN2Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-24-16-7-4-12(8-17(16)25-2)10-21-11-18(22)20-14-9-13(19(23)26-3)5-6-15(14)21/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyLVMPVHSIWDCLIJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.45
Rot. Bonds5

About methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate

methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate (PubChem CID 141462644) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate
PubChem CID141462644
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)CN2Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-24-16-7-4-12(8-17(16)25-2)10-21-11-18(22)20-14-9-13(19(23)26-3)5-6-15(14)21/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyLVMPVHSIWDCLIJ-UHFFFAOYSA-N
XLogP2.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 1134573
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CID 1553954
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CID 2803242
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CID 3236850
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CID 3241777
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CID 4593297
CID 4593297

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate?
The IUPAC name of methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate (CID 141462644) is methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)CN2Cc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate?
The InChIKey is LVMPVHSIWDCLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-16-7-4-12(8-17(16)25-2)10-21-11-18(22)20-14-9-13(19(23)26-3)5-6-15(14)21/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate?
methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylate is sourced from PubChem (CID 141462644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).