N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C28H28N2O2 — CID 3426683

IUPACN-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3c(CC)cccc3CC)c3ccccc3n2)cc1
InChIInChI=1S/C28H28N2O2/c1-4-19-10-9-11-20(5-2)27(19)30-28(31)24-18-26(29-25-13-8-7-12-23(24)25)21-14-16-22(17-15-21)32-6-3/h7-18H,4-6H2,1-3H3,(H,30,31)
InChIKeyYRXLYVGXTJTTAH-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.68
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 3426683) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID3426683
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3c(CC)cccc3CC)c3ccccc3n2)cc1
InChIInChI=1S/C28H28N2O2/c1-4-19-10-9-11-20(5-2)27(19)30-28(31)24-18-26(29-25-13-8-7-12-23(24)25)21-14-16-22(17-15-21)32-6-3/h7-18H,4-6H2,1-3H3,(H,30,31)
InChIKeyYRXLYVGXTJTTAH-UHFFFAOYSA-N
XLogP6.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458
N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 2165739
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4863761
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4155578
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
N-(4-ethoxyphenyl)-6-ethyl-2-phenylquinoline-4-carboxamide
CID 3898421
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 3426683) is N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3c(CC)cccc3CC)c3ccccc3n2)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is YRXLYVGXTJTTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-4-19-10-9-11-20(5-2)27(19)30-28(31)24-18-26(29-25-13-8-7-12-23(24)25)21-14-16-22(17-15-21)32-6-3/h7-18H,4-6H2,1-3H3,(H,30,31).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3426683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).