4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one

C17H12BrN3O — CID 142161387

IUPAC4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one
SMILESO=c1c2cc(Br)ccc2n2ccnc2n1Cc1ccccc1
InChIInChI=1S/C17H12BrN3O/c18-13-6-7-15-14(10-13)16(22)21(17-19-8-9-20(15)17)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyMIAKFNDWPZFQKY-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.46
Rot. Bonds2

About 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one

4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one (PubChem CID 142161387) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one
PubChem CID142161387
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one
SMILESO=c1c2cc(Br)ccc2n2ccnc2n1Cc1ccccc1
InChIInChI=1S/C17H12BrN3O/c18-13-6-7-15-14(10-13)16(22)21(17-19-8-9-20(15)17)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyMIAKFNDWPZFQKY-UHFFFAOYSA-N
XLogP3.46
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175678492
1-benzyl-6-bromoquinoxalin-2-one
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1-(azepan-1-yl)-7-bromo-4-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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3-benzyl-7-bromo-2-sulfanylidene-1H-quinazolin-4-one
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4-benzyl-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 20755137
4-benzyl-7-bromothieno[2,3-b]indole-2-carboxylic acid
CID 23210615
7-bromo-4-[(4-chlorophenyl)methyl]-1-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one?
The IUPAC name of 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one (CID 142161387) is 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one?
The canonical SMILES for 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one is O=c1c2cc(Br)ccc2n2ccnc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one?
The InChIKey is MIAKFNDWPZFQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O/c18-13-6-7-15-14(10-13)16(22)21(17-19-8-9-20(15)17)11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one?
4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one has a molecular weight of 354.21 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 142161387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).