ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate

C13H15NO3 — CID 110406411

IUPACethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)c2cc(C)ccc21
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)14-7-6-12(15)10-8-9(2)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyXEQZHRQLBJEBLF-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.54
Rot. Bonds1

About ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate

ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate (PubChem CID 110406411) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
PubChem CID110406411
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)c2cc(C)ccc21
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)14-7-6-12(15)10-8-9(2)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyXEQZHRQLBJEBLF-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634824
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
CID 110634868
1-O-benzyl 7-O-ethyl 5-oxo-3,4-dihydro-2H-1-benzazepine-1,7-dicarboxylate
CID 162403341
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 19607937
6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
CID 91060102
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
N,N-diethyl-6-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxamide
CID 110635106

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate (CID 110406411) is ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate is CCOC(=O)N1CCC(=O)c2cc(C)ccc21.
What is the InChIKey of ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is XEQZHRQLBJEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-13(16)14-7-6-12(15)10-8-9(2)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 110406411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).