N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide

C25H23N3O — CID 15990904

IUPACN-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N3O/c1-17-12-18(2)14-20(13-17)27-24-15-22(21-10-6-7-11-23(21)28-24)25(29)26-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyKEPGIWIWFKIQHT-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.53
Rot. Bonds5

About N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide

N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide (PubChem CID 15990904) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
PubChem CID15990904
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N3O/c1-17-12-18(2)14-20(13-17)27-24-15-22(21-10-6-7-11-23(21)28-24)25(29)26-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyKEPGIWIWFKIQHT-UHFFFAOYSA-N
XLogP5.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide (CID 15990904) is N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
The InChIKey is KEPGIWIWFKIQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-17-12-18(2)14-20(13-17)27-24-15-22(21-10-6-7-11-23(21)28-24)25(29)26-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).