methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate

C15H18N2O5 — CID 14718200

IUPACmethyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCOC(=O)CCc1nc2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C15H18N2O5/c1-17-11-8-13(21-3)12(20-2)7-10(11)16-9(15(17)19)5-6-14(18)22-4/h7-8H,5-6H2,1-4H3
InChIKeyTWPNCCGVSDCZME-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.06
Rot. Bonds5

About methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate

methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate (PubChem CID 14718200) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
PubChem CID14718200
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCOC(=O)CCc1nc2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C15H18N2O5/c1-17-11-8-13(21-3)12(20-2)7-10(11)16-9(15(17)19)5-6-14(18)22-4/h7-8H,5-6H2,1-4H3
InChIKeyTWPNCCGVSDCZME-UHFFFAOYSA-N
XLogP1.06
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate?
The IUPAC name of methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate (CID 14718200) is methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate?
The canonical SMILES for methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate is COC(=O)CCc1nc2cc(OC)c(OC)cc2n(C)c1=O.
What is the InChIKey of methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate?
The InChIKey is TWPNCCGVSDCZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-17-11-8-13(21-3)12(20-2)7-10(11)16-9(15(17)19)5-6-14(18)22-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate?
methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate has a molecular weight of 306.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate is sourced from PubChem (CID 14718200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).