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

C23H26N2O5 — CID 1190602

IUPACethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-5-30-23(26)18-14-25-19-8-7-16(27-2)13-17(19)22(18)24-11-10-15-6-9-20(28-3)21(12-15)29-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,25)
InChIKeyUUSAHOUTQCTJQE-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.09
Rot. Bonds9

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

ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate (PubChem CID 1190602) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate
PubChem CID1190602
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-5-30-23(26)18-14-25-19-8-7-16(27-2)13-17(19)22(18)24-11-10-15-6-9-20(28-3)21(12-15)29-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,25)
InChIKeyUUSAHOUTQCTJQE-UHFFFAOYSA-N
XLogP4.09
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate (CID 1190602) is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate?
The InChIKey is UUSAHOUTQCTJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-5-30-23(26)18-14-25-19-8-7-16(27-2)13-17(19)22(18)24-11-10-15-6-9-20(28-3)21(12-15)29-4/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-methoxyquinoline-3-carboxylate?
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 1190602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).