ethyl 2H-quinoline-1-carboxylate

C12H13NO2 — CID 27813

IUPACethyl 2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CC=Cc2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h3-8H,2,9H2,1H3
InChIKeyGZVVNAWGGPWOOK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.68
Rot. Bonds1

About ethyl 2H-quinoline-1-carboxylate

ethyl 2H-quinoline-1-carboxylate (PubChem CID 27813) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2H-quinoline-1-carboxylate
PubChem CID27813
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethyl 2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CC=Cc2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h3-8H,2,9H2,1H3
InChIKeyGZVVNAWGGPWOOK-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 2H-quinoline-1-carboxylate (CID 27813) is ethyl 2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 2H-quinoline-1-carboxylate is CCOC(=O)N1CC=Cc2ccccc21.
What is the InChIKey of ethyl 2H-quinoline-1-carboxylate?
The InChIKey is GZVVNAWGGPWOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-15-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2H-quinoline-1-carboxylate?
ethyl 2H-quinoline-1-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-quinoline-1-carboxylate is sourced from PubChem (CID 27813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).