ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate

C23H26N2O4 — CID 1190555

IUPACethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H26N2O4/c1-5-29-23(26)18-14-25-19-8-6-15(2)12-17(19)22(18)24-11-10-16-7-9-20(27-3)21(13-16)28-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,25)
InChIKeyHOEMCUMDJGFYCP-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.39
Rot. Bonds8

About ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate

ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate (PubChem CID 1190555) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate
PubChem CID1190555
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H26N2O4/c1-5-29-23(26)18-14-25-19-8-6-15(2)12-17(19)22(18)24-11-10-16-7-9-20(27-3)21(13-16)28-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,25)
InChIKeyHOEMCUMDJGFYCP-UHFFFAOYSA-N
XLogP4.39
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate (CID 1190555) is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate?
The InChIKey is HOEMCUMDJGFYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-5-29-23(26)18-14-25-19-8-6-15(2)12-17(19)22(18)24-11-10-16-7-9-20(27-3)21(13-16)28-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,25).
What are the key properties of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate?
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 1190555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).