ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate

C13H16ClNO2 — CID 170903403

IUPACethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCCOC(=O)C1CCN(C)c2c(Cl)cccc21
InChIInChI=1S/C13H16ClNO2/c1-3-17-13(16)10-7-8-15(2)12-9(10)5-4-6-11(12)14/h4-6,10H,3,7-8H2,1-2H3
InChIKeyABBODISJNVJSND-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.83
Rot. Bonds2

About ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate

ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate (PubChem CID 170903403) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
PubChem CID170903403
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Nameethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCCOC(=O)C1CCN(C)c2c(Cl)cccc21
InChIInChI=1S/C13H16ClNO2/c1-3-17-13(16)10-7-8-15(2)12-9(10)5-4-6-11(12)14/h4-6,10H,3,7-8H2,1-2H3
InChIKeyABBODISJNVJSND-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The IUPAC name of ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate (CID 170903403) is ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate is CCOC(=O)C1CCN(C)c2c(Cl)cccc21.
What is the InChIKey of ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The InChIKey is ABBODISJNVJSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-3-17-13(16)10-7-8-15(2)12-9(10)5-4-6-11(12)14/h4-6,10H,3,7-8H2,1-2H3.
What are the key properties of ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate has a molecular weight of 253.73 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate is sourced from PubChem (CID 170903403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).