methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate

C14H13NO4 — CID 86241636

IUPACmethyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C2CO2)c2nc(OC)ccc12
InChIInChI=1S/C14H13NO4/c1-17-12-6-5-8-9(14(16)18-2)3-4-10(11-7-19-11)13(8)15-12/h3-6,11H,7H2,1-2H3
InChIKeyFCHZAUBXQPZLGM-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.10
Rot. Bonds3

About methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate

methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate (PubChem CID 86241636) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate
PubChem CID86241636
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C2CO2)c2nc(OC)ccc12
InChIInChI=1S/C14H13NO4/c1-17-12-6-5-8-9(14(16)18-2)3-4-10(11-7-19-11)13(8)15-12/h3-6,11H,7H2,1-2H3
InChIKeyFCHZAUBXQPZLGM-UHFFFAOYSA-N
XLogP2.10
TPSA60.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate?
The IUPAC name of methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate (CID 86241636) is methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate.
What is the SMILES notation for methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate?
The canonical SMILES for methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate is COC(=O)c1ccc(C2CO2)c2nc(OC)ccc12.
What is the InChIKey of methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate?
The InChIKey is FCHZAUBXQPZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-17-12-6-5-8-9(14(16)18-2)3-4-10(11-7-19-11)13(8)15-12/h3-6,11H,7H2,1-2H3.
What are the key properties of methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate?
methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate is sourced from PubChem (CID 86241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).