1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate

C15H19NO5 — CID 19039847

IUPAC1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
SMILESCCOC(=O)N1c2ccc(OC)cc2CCC1C(=O)OC
InChIInChI=1S/C15H19NO5/c1-4-21-15(18)16-12-8-6-11(19-2)9-10(12)5-7-13(16)14(17)20-3/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyVNWSQOFZXAQZJV-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.15
Rot. Bonds3

About 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate

1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate (PubChem CID 19039847) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
PubChem CID19039847
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
SMILESCCOC(=O)N1c2ccc(OC)cc2CCC1C(=O)OC
InChIInChI=1S/C15H19NO5/c1-4-21-15(18)16-12-8-6-11(19-2)9-10(12)5-7-13(16)14(17)20-3/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyVNWSQOFZXAQZJV-UHFFFAOYSA-N
XLogP2.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124681204
tert-butyl (2R)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124681203
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 115031360
methyl 1-(5-ethoxy-4,4-dimethyl-5-oxopentanoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 70530029
ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 110663128
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
N-[2,6-di(propan-2-yl)phenyl]-3-(2-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 139751007
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
ethyl (3Z)-3-(1-cyano-2-ethoxy-2-oxoethylidene)-2-hydroxy-5-methoxy-2H-indole-1-carboxylate
CID 11782936
1-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623666
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate?
The IUPAC name of 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate (CID 19039847) is 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate?
The canonical SMILES for 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate is CCOC(=O)N1c2ccc(OC)cc2CCC1C(=O)OC.
What is the InChIKey of 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate?
The InChIKey is VNWSQOFZXAQZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-21-15(18)16-12-8-6-11(19-2)9-10(12)5-7-13(16)14(17)20-3/h6,8-9,13H,4-5,7H2,1-3H3.
What are the key properties of 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate?
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate is sourced from PubChem (CID 19039847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).