ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate

C20H19NO4 — CID 102087405

IUPACethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)c2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C20H19NO4/c1-4-25-20(23)14-10-16-12(2)9-18(22)21-19(16)17(11-14)13-5-7-15(24-3)8-6-13/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyLOKLKUBMVQTSHA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.69
Rot. Bonds4

About ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate

ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate (PubChem CID 102087405) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate
PubChem CID102087405
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)c2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C20H19NO4/c1-4-25-20(23)14-10-16-12(2)9-18(22)21-19(16)17(11-14)13-5-7-15(24-3)8-6-13/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyLOKLKUBMVQTSHA-UHFFFAOYSA-N
XLogP3.69
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209376
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate
CID 13277716
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 4-[(4,8-dimethyl-2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 18592806
ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
CID 56648068
ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
CID 10546793
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate (CID 102087405) is ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)c2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate?
The InChIKey is LOKLKUBMVQTSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-4-25-20(23)14-10-16-12(2)9-18(22)21-19(16)17(11-14)13-5-7-15(24-3)8-6-13/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate?
ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(4-methoxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 102087405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).