2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide

C26H24N2O4 — CID 1220159

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1
InChIInChI=1S/C26H24N2O4/c1-4-32-19-12-10-18(11-13-19)27-26(29)21-16-23(28-22-8-6-5-7-20(21)22)17-9-14-24(30-2)25(15-17)31-3/h5-16H,4H2,1-3H3,(H,27,29)
InChIKeyZCUMYVDMXRCIIH-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.57
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1220159) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID1220159
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1
InChIInChI=1S/C26H24N2O4/c1-4-32-19-12-10-18(11-13-19)27-26(29)21-16-23(28-22-8-6-5-7-20(21)22)17-9-14-24(30-2)25(15-17)31-3/h5-16H,4H2,1-3H3,(H,27,29)
InChIKeyZCUMYVDMXRCIIH-UHFFFAOYSA-N
XLogP5.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 1220159) is 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is ZCUMYVDMXRCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-4-32-19-12-10-18(11-13-19)27-26(29)21-16-23(28-22-8-6-5-7-20(21)22)17-9-14-24(30-2)25(15-17)31-3/h5-16H,4H2,1-3H3,(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).