ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate

C16H19NO4 — CID 150300794

IUPACethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(OC)c(C)cc(C)c2c(=O)c1C
InChIInChI=1S/C16H19NO4/c1-6-21-16(19)12-10(4)14(18)11-8(2)7-9(3)15(20-5)13(11)17-12/h7H,6H2,1-5H3,(H,17,18)
InChIKeyGJOJCWLEVLFEIL-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.64
Rot. Bonds3

About ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate

ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 150300794) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate
PubChem CID150300794
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(OC)c(C)cc(C)c2c(=O)c1C
InChIInChI=1S/C16H19NO4/c1-6-21-16(19)12-10(4)14(18)11-8(2)7-9(3)15(20-5)13(11)17-12/h7H,6H2,1-5H3,(H,17,18)
InChIKeyGJOJCWLEVLFEIL-UHFFFAOYSA-N
XLogP2.64
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-formyl-4-methoxy-5,7-dimethyl-1H-indole-2-carboxylate
CID 4023028
ethyl 5-bromo-3,7-dimethyl-1H-indole-2-carboxylate
CID 12858866
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 67851388
ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate
CID 10987943
ethyl 5-formyl-3-methyl-1H-pyrrole-2-carboxylate
CID 1113514
ethyl 7-acetyl-3-methyl-1H-indole-2-carboxylate
CID 14905464
ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate
CID 170744696
ethyl 3-formyl-4,6-dimethyl-1H-indole-2-carboxylate
CID 3301707
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
CID 4271345
ethyl 5-bromo-7-chloro-3-formyl-1H-indole-2-carboxylate
CID 5133000

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate (CID 150300794) is ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate is CCOC(=O)c1[nH]c2c(OC)c(C)cc(C)c2c(=O)c1C.
What is the InChIKey of ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is GJOJCWLEVLFEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-6-21-16(19)12-10(4)14(18)11-8(2)7-9(3)15(20-5)13(11)17-12/h7H,6H2,1-5H3,(H,17,18).
What are the key properties of ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate?
ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-3,5,7-trimethyl-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 150300794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).