2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide

C27H26N2O4 — CID 24819442

IUPAC2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C27H26N2O4/c1-29(17-18-8-7-9-20(14-18)31-2)27(30)22-16-24(28-23-11-6-5-10-21(22)23)19-12-13-25(32-3)26(15-19)33-4/h5-16H,17H2,1-4H3
InChIKeyYIZWAOYYTIISGD-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.20
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 24819442) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID24819442
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1
InChIInChI=1S/C27H26N2O4/c1-29(17-18-8-7-9-20(14-18)31-2)27(30)22-16-24(28-23-11-6-5-10-21(22)23)19-12-13-25(32-3)26(15-19)33-4/h5-16H,17H2,1-4H3
InChIKeyYIZWAOYYTIISGD-UHFFFAOYSA-N
XLogP5.20
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (CID 24819442) is 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is COc1cccc(CN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is YIZWAOYYTIISGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-29(17-18-8-7-9-20(14-18)31-2)27(30)22-16-24(28-23-11-6-5-10-21(22)23)19-12-13-25(32-3)26(15-19)33-4/h5-16H,17H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 24819442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).