2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide

C26H24N2O2 — CID 5239510

IUPAC2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C26H24N2O2/c1-4-30-25-12-8-7-11-23(25)28-26(29)21-16-24(19-14-13-17(2)15-18(19)3)27-22-10-6-5-9-20(21)22/h5-16H,4H2,1-3H3,(H,28,29)
InChIKeyQBULRTBLZATHKL-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.17
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 5239510) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID5239510
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C26H24N2O2/c1-4-30-25-12-8-7-11-23(25)28-26(29)21-16-24(19-14-13-17(2)15-18(19)3)27-22-10-6-5-9-20(21)22/h5-16H,4H2,1-3H3,(H,28,29)
InChIKeyQBULRTBLZATHKL-UHFFFAOYSA-N
XLogP6.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(5-chlorothiophen-2-yl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 26243054
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
CID 845043
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide (CID 5239510) is 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is QBULRTBLZATHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-4-30-25-12-8-7-11-23(25)28-26(29)21-16-24(19-14-13-17(2)15-18(19)3)27-22-10-6-5-9-20(21)22/h5-16H,4H2,1-3H3,(H,28,29).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5239510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).