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

C26H24N2O — CID 3129381

IUPAC2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C26H24N2O/c1-4-19-9-5-7-11-23(19)28-26(29)22-16-25(20-14-13-17(2)15-18(20)3)27-24-12-8-6-10-21(22)24/h5-16H,4H2,1-3H3,(H,28,29)
InChIKeyIAGOTEQWKFRMOY-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.33
Rot. Bonds4

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

2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide (PubChem CID 3129381) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
PubChem CID3129381
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C26H24N2O/c1-4-19-9-5-7-11-23(19)28-26(29)22-16-25(20-14-13-17(2)15-18(20)3)27-24-12-8-6-10-21(22)24/h5-16H,4H2,1-3H3,(H,28,29)
InChIKeyIAGOTEQWKFRMOY-UHFFFAOYSA-N
XLogP6.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide (CID 3129381) is 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide is CCc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide?
The InChIKey is IAGOTEQWKFRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-4-19-9-5-7-11-23(19)28-26(29)22-16-25(20-14-13-17(2)15-18(20)3)27-24-12-8-6-10-21(22)24/h5-16H,4H2,1-3H3,(H,28,29).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3129381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).