2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide

C26H25N3O — CID 15990880

IUPAC2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C26H25N3O/c1-18-12-13-23(19(2)16-18)28-25-17-22(21-10-6-7-11-24(21)29-25)26(30)27-15-14-20-8-4-3-5-9-20/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyJWPDJAHIKZZLQN-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.57
Rot. Bonds6

About 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide

2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide (PubChem CID 15990880) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
PubChem CID15990880
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C26H25N3O/c1-18-12-13-23(19(2)16-18)28-25-17-22(21-10-6-7-11-24(21)29-25)26(30)27-15-14-20-8-4-3-5-9-20/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyJWPDJAHIKZZLQN-UHFFFAOYSA-N
XLogP5.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylanilino)quinoline-4-carboxylate
CID 4166548
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 20854538
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 15994894
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide (CID 15990880) is 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
The InChIKey is JWPDJAHIKZZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-18-12-13-23(19(2)16-18)28-25-17-22(21-10-6-7-11-24(21)29-25)26(30)27-15-14-20-8-4-3-5-9-20/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 15990880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).