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

C13H15NO2 — CID 57350988

IUPACethyl 1-methyl-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C=CCN2C
InChIInChI=1S/C13H15NO2/c1-3-16-13(15)11-6-7-12-10(9-11)5-4-8-14(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyNPPLODZSSJUHFZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.33
Rot. Bonds2

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

ethyl 1-methyl-2H-quinoline-6-carboxylate (PubChem CID 57350988) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 1-methyl-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2H-quinoline-6-carboxylate
PubChem CID57350988
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl 1-methyl-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C=CCN2C
InChIInChI=1S/C13H15NO2/c1-3-16-13(15)11-6-7-12-10(9-11)5-4-8-14(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyNPPLODZSSJUHFZ-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 118096619
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
ethyl 3-methyl-4-(3-oxopyrrolidin-1-yl)benzoate
CID 67937108
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline-6-carboxylate
CID 54598283
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
(5-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 130058683
(4-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 74889503
ethyl 1-methyl-4H-pyrrolo[1,2-a]indole-6-carboxylate
CID 11608421
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2H-quinoline-6-carboxylate?
The IUPAC name of ethyl 1-methyl-2H-quinoline-6-carboxylate (CID 57350988) is ethyl 1-methyl-2H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 1-methyl-2H-quinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)C=CCN2C.
What is the InChIKey of ethyl 1-methyl-2H-quinoline-6-carboxylate?
The InChIKey is NPPLODZSSJUHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-16-13(15)11-6-7-12-10(9-11)5-4-8-14(12)2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 1-methyl-2H-quinoline-6-carboxylate?
ethyl 1-methyl-2H-quinoline-6-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2H-quinoline-6-carboxylate is sourced from PubChem (CID 57350988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).