1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone

C22H17N3O — CID 725405

IUPAC1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O/c1-15(26)16-11-13-18(14-12-16)23-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24,25)
InChIKeyZWOWLXTZZKJLPL-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.24
Rot. Bonds4

About 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone

1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone (PubChem CID 725405) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone
PubChem CID725405
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H17N3O/c1-15(26)16-11-13-18(14-12-16)23-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24,25)
InChIKeyZWOWLXTZZKJLPL-UHFFFAOYSA-N
XLogP5.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
Sgi-1027
CID 24858111
N,2-diphenylquinazolin-4-amine
CID 698960
Acetophenone, 4'-(9-acridinylamino)-
CID 51972
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
1-[3-(2,4-Diaminoquinazolin-7-yl)phenyl]ethanone
CID 56659280
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone (CID 725405) is 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone?
The InChIKey is ZWOWLXTZZKJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15(26)16-11-13-18(14-12-16)23-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24,25).
What are the key properties of 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone?
1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone has a molecular weight of 339.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 725405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).