ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

C21H21NO6 — CID 71460683

IUPACethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc(OC)cc(OC)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C21H21NO6/c1-5-28-21(24)18-19(12-8-14(26-3)10-15(9-12)27-4)22-17-11-13(25-2)6-7-16(17)20(18)23/h6-11H,5H2,1-4H3,(H,22,23)
InChIKeyDRPJDSMVZQZINB-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.40
Rot. Bonds6

About ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 71460683) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID71460683
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Nameethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc(OC)cc(OC)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C21H21NO6/c1-5-28-21(24)18-19(12-8-14(26-3)10-15(9-12)27-4)22-17-11-13(25-2)6-7-16(17)20(18)23/h6-11H,5H2,1-4H3,(H,22,23)
InChIKeyDRPJDSMVZQZINB-UHFFFAOYSA-N
XLogP3.40
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Nequinate
CID 26383
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
CID 140877936
9-(3,5-Dimethoxyphenyl)-6-methoxy-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one
CID 44593137
6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 6325047
ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 45103531
ethyl 7-methoxy-2-(m-tolyl)-4-oxo-1H-quinoline-3-carboxylate
CID 46884041
ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylate
CID 46884042
ethyl 2-(3-chlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884043
ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate
CID 71451663
ethyl 2-(3-fluoro-5-methoxy-phenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71451676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 71460683) is ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cc(OC)cc(OC)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is DRPJDSMVZQZINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-5-28-21(24)18-19(12-8-14(26-3)10-15(9-12)27-4)22-17-11-13(25-2)6-7-16(17)20(18)23/h6-11H,5H2,1-4H3,(H,22,23).
What are the key properties of ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71460683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).