ethyl 1,4-dihydroquinoline-6-carboxylate

C12H13NO2 — CID 143532502

IUPACethyl 1,4-dihydroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC=CN2
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11/h3,5-8,13H,2,4H2,1H3
InChIKeyDUARRYURUCVBES-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.35
Rot. Bonds2

About ethyl 1,4-dihydroquinoline-6-carboxylate

ethyl 1,4-dihydroquinoline-6-carboxylate (PubChem CID 143532502) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 1,4-dihydroquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dihydroquinoline-6-carboxylate
PubChem CID143532502
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethyl 1,4-dihydroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC=CN2
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11/h3,5-8,13H,2,4H2,1H3
InChIKeyDUARRYURUCVBES-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dihydroquinoline-6-carboxylate?
The IUPAC name of ethyl 1,4-dihydroquinoline-6-carboxylate (CID 143532502) is ethyl 1,4-dihydroquinoline-6-carboxylate.
What is the SMILES notation for ethyl 1,4-dihydroquinoline-6-carboxylate?
The canonical SMILES for ethyl 1,4-dihydroquinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)CC=CN2.
What is the InChIKey of ethyl 1,4-dihydroquinoline-6-carboxylate?
The InChIKey is DUARRYURUCVBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11/h3,5-8,13H,2,4H2,1H3.
What are the key properties of ethyl 1,4-dihydroquinoline-6-carboxylate?
ethyl 1,4-dihydroquinoline-6-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dihydroquinoline-6-carboxylate is sourced from PubChem (CID 143532502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).