3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide

C24H21N3O — CID 46376180

IUPAC3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2ccc3ccccc3n2)c1
InChIInChI=1S/C24H21N3O/c1-27(2)19-10-7-9-18(16-19)24(28)26-22-13-6-4-11-20(22)23-15-14-17-8-3-5-12-21(17)25-23/h3-16H,1-2H3,(H,26,28)
InChIKeyKMFOPSKTJRMORG-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.22
Rot. Bonds4

About 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide

3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide (PubChem CID 46376180) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide
PubChem CID46376180
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2ccc3ccccc3n2)c1
InChIInChI=1S/C24H21N3O/c1-27(2)19-10-7-9-18(16-19)24(28)26-22-13-6-4-11-20(22)23-15-14-17-8-3-5-12-21(17)25-23/h3-16H,1-2H3,(H,26,28)
InChIKeyKMFOPSKTJRMORG-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide (CID 46376180) is 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide is CN(C)c1cccc(C(=O)Nc2ccccc2-c2ccc3ccccc3n2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide?
The InChIKey is KMFOPSKTJRMORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-27(2)19-10-7-9-18(16-19)24(28)26-22-13-6-4-11-20(22)23-15-14-17-8-3-5-12-21(17)25-23/h3-16H,1-2H3,(H,26,28).
What are the key properties of 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide?
3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-quinolin-2-ylphenyl)benzamide is sourced from PubChem (CID 46376180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).