2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

C26H25N3O2 — CID 20854390

IUPAC2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O2/c1-18-7-9-19(10-8-18)15-16-27-26(30)23-17-25(29-24-6-4-3-5-22(23)24)28-20-11-13-21(31-2)14-12-20/h3-14,17H,15-16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUOUZESTWBMNFDD-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.27
Rot. Bonds7

About 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 20854390) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID20854390
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O2/c1-18-7-9-19(10-8-18)15-16-27-26(30)23-17-25(29-24-6-4-3-5-22(23)24)28-20-11-13-21(31-2)14-12-20/h3-14,17H,15-16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUOUZESTWBMNFDD-UHFFFAOYSA-N
XLogP5.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 45099957
2-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 126458298
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide (CID 20854390) is 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is UOUZESTWBMNFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-18-7-9-19(10-8-18)15-16-27-26(30)23-17-25(29-24-6-4-3-5-22(23)24)28-20-11-13-21(31-2)14-12-20/h3-14,17H,15-16H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 20854390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).