4-tert-butyl-N-(quinolin-3-yl)benzamide

HCID 797382

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Basic information

CAS: 331850-72-7
Standard SMILES: CC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIKey: MUZWQZALZQTMBA-UHFFFAOYSA-N
Molecular formula: C20H20N2O
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.15756327

Names & identifiers

Preferred name: 4-tert-butyl-N-(quinolin-3-yl)benzamide
IUPAC: 4-tert-butyl-N-quinolin-3-ylbenzamide

Names & synonyms

331850-72-74-tert-butyl-N-(quinolin-3-yl)benzamideRefChem:2964174-tert-butyl-N-quinolin-3-ylbenzamide4-(tert-Butyl)-N-(quinolin-3-yl)benzamide4-tert-Butyl-N-quinolin-3-yl-benzamideCHEMBL258917Benzamide, 4-(1,1-dimethylethyl)-N-3-quinolinyl-L3EH9YHT33Oprea1_306931Oprea1_506548SCHEMBL846396

Show more names

DTXSID30355358BDBM50376277EBC-07764AKOS0006372954-tert-butyl-N-(3-quinolinyl)benzamidePD182351ST45006323ST50004035

Database identifiers

CAS: 331850-72-7
PubChem CID: 797382
DTXSID: DTXSID30355358
ChEMBL: CHEMBL258917
UNII: L3EH9YHT33

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 406

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