ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate

C13H13NO3 — CID 132605368

IUPACethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-7-9-6-8(2)4-5-11(9)14-12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeySRHUCJUMEMYSRC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.01
Rot. Bonds2

About ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate

ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 132605368) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate
PubChem CID132605368
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-7-9-6-8(2)4-5-11(9)14-12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeySRHUCJUMEMYSRC-UHFFFAOYSA-N
XLogP2.01
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methylquinolin-2(1H)-one
CID 12237458
3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester
CID 606180
2-Quinolone-3-carboxylic acid
CID 332488
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
6-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
CID 906097
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate (CID 132605368) is ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SRHUCJUMEMYSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-13(16)10-7-9-6-8(2)4-5-11(9)14-12(10)15/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate?
ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 132605368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).