1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone

C16H12BrN3O — CID 110434526

IUPAC1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc3c(Br)cccc23)c1
InChIInChI=1S/C16H12BrN3O/c1-10(21)11-4-2-5-12(8-11)20-16-13-6-3-7-14(17)15(13)18-9-19-16/h2-9H,1H3,(H,18,19,20)
InChIKeyNPXRAGRGXXCECG-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.34
Rot. Bonds3

About 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone

1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone (PubChem CID 110434526) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
PubChem CID110434526
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc3c(Br)cccc23)c1
InChIInChI=1S/C16H12BrN3O/c1-10(21)11-4-2-5-12(8-11)20-16-13-6-3-7-14(17)15(13)18-9-19-16/h2-9H,1H3,(H,18,19,20)
InChIKeyNPXRAGRGXXCECG-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone with MolForge

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Related Compounds

1-[3-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylamino)phenyl]ethanone
CID 110435109
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434527
1-[3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547424
1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
CID 17422025
1-[3-[[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547511
8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
CID 110434524
1-[3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23486043
methyl 3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzoate
CID 110434452
1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569443

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone (CID 110434526) is 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ncnc3c(Br)cccc23)c1.
What is the InChIKey of 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone?
The InChIKey is NPXRAGRGXXCECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10(21)11-4-2-5-12(8-11)20-16-13-6-3-7-14(17)15(13)18-9-19-16/h2-9H,1H3,(H,18,19,20).
What are the key properties of 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone?
1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone has a molecular weight of 342.20 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 110434526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).