ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate

C20H19NO5 — CID 139890841

IUPACethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(OC)c2)c2cccc(OC)c2c1=O
InChIInChI=1S/C20H19NO5/c1-4-26-20(23)15-12-21(13-7-5-8-14(11-13)24-2)16-9-6-10-17(25-3)18(16)19(15)22/h5-12H,4H2,1-3H3
InChIKeyRWVMNFIZQLWVMT-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.18
Rot. Bonds5

About ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate

ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate (PubChem CID 139890841) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate
PubChem CID139890841
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(OC)c2)c2cccc(OC)c2c1=O
InChIInChI=1S/C20H19NO5/c1-4-26-20(23)15-12-21(13-7-5-8-14(11-13)24-2)16-9-6-10-17(25-3)18(16)19(15)22/h5-12H,4H2,1-3H3
InChIKeyRWVMNFIZQLWVMT-UHFFFAOYSA-N
XLogP3.18
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate
CID 71734506
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82421024
pentyl 2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092757
ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 11741701
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
CID 59324439
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63950822
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate (CID 139890841) is ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(-c2cccc(OC)c2)c2cccc(OC)c2c1=O.
What is the InChIKey of ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate?
The InChIKey is RWVMNFIZQLWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-4-26-20(23)15-12-21(13-7-5-8-14(11-13)24-2)16-9-6-10-17(25-3)18(16)19(15)22/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate?
ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-1-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 139890841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).