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

C28H28N2O5 — CID 4796151

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3cccc(OC)c3OC)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H28N2O5/c1-30(17-19-9-8-12-25(33-3)27(19)35-5)28(31)21-16-23(29-22-11-7-6-10-20(21)22)18-13-14-24(32-2)26(15-18)34-4/h6-16H,17H2,1-5H3
InChIKeyPFPMKZSAMIEXJE-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.21
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 4796151) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID4796151
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3cccc(OC)c3OC)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H28N2O5/c1-30(17-19-9-8-12-25(33-3)27(19)35-5)28(31)21-16-23(29-22-11-7-6-10-20(21)22)18-13-14-24(32-2)26(15-18)34-4/h6-16H,17H2,1-5H3
InChIKeyPFPMKZSAMIEXJE-UHFFFAOYSA-N
XLogP5.21
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide (CID 4796151) is 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3cccc(OC)c3OC)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is PFPMKZSAMIEXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-30(17-19-9-8-12-25(33-3)27(19)35-5)28(31)21-16-23(29-22-11-7-6-10-20(21)22)18-13-14-24(32-2)26(15-18)34-4/h6-16H,17H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 4796151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).