N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C25H22N2O2 — CID 1220167

IUPACN-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O2/c1-16-8-9-17(2)23(14-16)27-25(28)21-15-24(18-10-12-19(29-3)13-11-18)26-22-7-5-4-6-20(21)22/h4-15H,1-3H3,(H,27,28)
InChIKeyYMCYIIKIBWXHNB-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.78
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 1220167) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID1220167
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O2/c1-16-8-9-17(2)23(14-16)27-25(28)21-15-24(18-10-12-19(29-3)13-11-18)26-22-7-5-4-6-20(21)22/h4-15H,1-3H3,(H,27,28)
InChIKeyYMCYIIKIBWXHNB-UHFFFAOYSA-N
XLogP5.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 1220167) is N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3ccccc3n2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is YMCYIIKIBWXHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-16-8-9-17(2)23(14-16)27-25(28)21-15-24(18-10-12-19(29-3)13-11-18)26-22-7-5-4-6-20(21)22/h4-15H,1-3H3,(H,27,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).