ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate

C14H15NO3 — CID 19603453

IUPACethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c(=O)c1C
InChIInChI=1S/C14H15NO3/c1-4-18-14(17)12-9(3)13(16)10-7-8(2)5-6-11(10)15-12/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyURBORMOBWIYTSO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.32
Rot. Bonds2

About ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate

ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 19603453) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
PubChem CID19603453
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c(=O)c1C
InChIInChI=1S/C14H15NO3/c1-4-18-14(17)12-9(3)13(16)10-7-8(2)5-6-11(10)15-12/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyURBORMOBWIYTSO-UHFFFAOYSA-N
XLogP2.32
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 938498
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
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ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
ethyl 3-[1-(dimethylamino)ethylideneamino]-5-methyl-1H-indole-2-carboxylate
CID 651973
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
ethyl 3-(4-chlorophenyl)sulfanyl-5-methyl-1H-indole-2-carboxylate
CID 71625158
[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 3714986
2,7-dimethyl-10H-acridin-9-one
CID 13293445
ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141399849
ethyl 4-acetyl-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]-1H-pyrrole-2-carboxylate
CID 10359772
ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
CID 91665749
ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 10314040

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate (CID 19603453) is ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate is CCOC(=O)c1[nH]c2ccc(C)cc2c(=O)c1C.
What is the InChIKey of ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is URBORMOBWIYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-18-14(17)12-9(3)13(16)10-7-8(2)5-6-11(10)15-12/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate?
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 19603453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).