2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide

C26H25N3O2 — CID 15990877

IUPAC2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C)cc3C)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-17-8-13-23(18(2)14-17)28-25-15-22(21-6-4-5-7-24(21)29-25)26(30)27-16-19-9-11-20(31-3)12-10-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyVEENHKQIBZLNRT-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.53
Rot. Bonds6

About 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide

2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 15990877) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID15990877
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C)cc3C)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-17-8-13-23(18(2)14-17)28-25-15-22(21-6-4-5-7-24(21)29-25)26(30)27-16-19-9-11-20(31-3)12-10-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyVEENHKQIBZLNRT-UHFFFAOYSA-N
XLogP5.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 15990877) is 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccc(C)cc3C)nc3ccccc23)cc1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is VEENHKQIBZLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-8-13-23(18(2)14-17)28-25-15-22(21-6-4-5-7-24(21)29-25)26(30)27-16-19-9-11-20(31-3)12-10-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 15990877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).