ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate

C14H14ClNO2 — CID 3352918

IUPACethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Cl
InChIInChI=1S/C14H14ClNO2/c1-4-18-14(17)11-7-16-13-9(3)5-8(2)6-10(13)12(11)15/h5-7H,4H2,1-3H3
InChIKeyQOCJKSWVYYUBSD-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.68
Rot. Bonds2

About ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate

ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate (PubChem CID 3352918) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
PubChem CID3352918
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Nameethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Cl
InChIInChI=1S/C14H14ClNO2/c1-4-18-14(17)11-7-16-13-9(3)5-8(2)6-10(13)12(11)15/h5-7H,4H2,1-3H3
InChIKeyQOCJKSWVYYUBSD-UHFFFAOYSA-N
XLogP3.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate (CID 3352918) is ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1Cl.
What is the InChIKey of ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate?
The InChIKey is QOCJKSWVYYUBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-4-18-14(17)11-7-16-13-9(3)5-8(2)6-10(13)12(11)15/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate?
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate has a molecular weight of 263.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 3352918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).