ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

C13H17NO3 — CID 10728450

IUPACethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CCCc2c1ccc(O)c2C
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)14-8-4-5-10-9(2)12(15)7-6-11(10)14/h6-7,15H,3-5,8H2,1-2H3
InChIKeyXMRFBADRCQXLAP-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.61
Rot. Bonds1

About ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 10728450) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID10728450
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CCCc2c1ccc(O)c2C
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)14-8-4-5-10-9(2)12(15)7-6-11(10)14/h6-7,15H,3-5,8H2,1-2H3
InChIKeyXMRFBADRCQXLAP-UHFFFAOYSA-N
XLogP2.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 10728450) is ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is CCOC(=O)N1CCCc2c1ccc(O)c2C.
What is the InChIKey of ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is XMRFBADRCQXLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-13(16)14-8-4-5-10-9(2)12(15)7-6-11(10)14/h6-7,15H,3-5,8H2,1-2H3.
What are the key properties of ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-5-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 10728450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).