N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide

C30H24N2O — CID 5129728

IUPACN-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)c1C
InChIInChI=1S/C30H24N2O/c1-20-9-8-14-27(21(20)2)32-30(33)26-19-29(31-28-13-7-6-12-25(26)28)24-17-15-23(16-18-24)22-10-4-3-5-11-22/h3-19H,1-2H3,(H,32,33)
InChIKeyUREAXABSQIYBSF-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.44
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide

N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide (PubChem CID 5129728) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
PubChem CID5129728
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)c1C
InChIInChI=1S/C30H24N2O/c1-20-9-8-14-27(21(20)2)32-30(33)26-19-29(31-28-13-7-6-12-25(26)28)24-17-15-23(16-18-24)22-10-4-3-5-11-22/h3-19H,1-2H3,(H,32,33)
InChIKeyUREAXABSQIYBSF-UHFFFAOYSA-N
XLogP7.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
N-(2,3-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512000
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
CID 16564312
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide (CID 5129728) is N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide?
The InChIKey is UREAXABSQIYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c1-20-9-8-14-27(21(20)2)32-30(33)26-19-29(31-28-13-7-6-12-25(26)28)24-17-15-23(16-18-24)22-10-4-3-5-11-22/h3-19H,1-2H3,(H,32,33).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide?
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 7.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5129728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).