ethyl 2,4-dimethylquinoline-3-carboxylate

C14H15NO2 — CID 2501158

IUPACethyl 2,4-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3
InChIKeyASEYONPNBCGPAZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.03
Rot. Bonds2

About ethyl 2,4-dimethylquinoline-3-carboxylate

ethyl 2,4-dimethylquinoline-3-carboxylate (PubChem CID 2501158) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethylquinoline-3-carboxylate
PubChem CID2501158
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 2,4-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3
InChIKeyASEYONPNBCGPAZ-UHFFFAOYSA-N
XLogP3.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethylquinoline-3-carboxylate (CID 2501158) is ethyl 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethylquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2ccccc2c1C.
What is the InChIKey of ethyl 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is ASEYONPNBCGPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2,4-dimethylquinoline-3-carboxylate?
ethyl 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 2501158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).