4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one

C18H14BrN3O2 — CID 145361748

IUPAC4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cncc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O2/c19-13-7-5-12(6-8-13)16(23)10-21-17-9-20-11-22(17)15-4-2-1-3-14(15)18(21)24/h1-9,11,16,23H,10H2
InChIKeyHMKPGEOBZWQDMN-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.15
Rot. Bonds3

About 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one

4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one (PubChem CID 145361748) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
PubChem CID145361748
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cncc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O2/c19-13-7-5-12(6-8-13)16(23)10-21-17-9-20-11-22(17)15-4-2-1-3-14(15)18(21)24/h1-9,11,16,23H,10H2
InChIKeyHMKPGEOBZWQDMN-UHFFFAOYSA-N
XLogP3.15
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,5-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361679
4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361724
4-[2-(4-fluorophenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361713
4-(2-naphthalen-2-yl-2-oxoethyl)imidazo[1,5-a]quinazolin-5-one
CID 145361690
4-[2-(4-methoxyphenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361629
4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 110884978
N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide
CID 145361634
2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide
CID 145361664
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 38778947
3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one (CID 145361748) is 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one is O=c1c2ccccc2n2cncc2n1CC(O)c1ccc(Br)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
The InChIKey is HMKPGEOBZWQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-13-7-5-12(6-8-13)16(23)10-21-17-9-20-11-22(17)15-4-2-1-3-14(15)18(21)24/h1-9,11,16,23H,10H2.
What are the key properties of 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one?
4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one has a molecular weight of 384.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 145361748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).