8-bromo-3-(2-hydroxypropyl)quinazolin-4-one

C11H11BrN2O2 — CID 117264522

IUPAC8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
SMILESCC(O)Cn1cnc2c(Br)cccc2c1=O
InChIInChI=1S/C11H11BrN2O2/c1-7(15)5-14-6-13-10-8(11(14)16)3-2-4-9(10)12/h2-4,6-7,15H,5H2,1H3
InChIKeyDMZWUOXMGZZSCZ-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.54
Rot. Bonds2

About 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one

8-bromo-3-(2-hydroxypropyl)quinazolin-4-one (PubChem CID 117264522) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
PubChem CID117264522
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
SMILESCC(O)Cn1cnc2c(Br)cccc2c1=O
InChIInChI=1S/C11H11BrN2O2/c1-7(15)5-14-6-13-10-8(11(14)16)3-2-4-9(10)12/h2-4,6-7,15H,5H2,1H3
InChIKeyDMZWUOXMGZZSCZ-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117263443
8-bromo-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 90003883
3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one
CID 117264649
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166
3-(2-fluoropropyl)-8-methoxyquinazolin-4-one
CID 166295179
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one
CID 111149302
8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
CID 117264733
3-(2-aminopropyl)-5-bromoquinazolin-4-one
CID 117263719
2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
CID 117264556
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
2-(8-methyl-4-oxoquinazolin-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 134032469
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
The IUPAC name of 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one (CID 117264522) is 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one.
What is the SMILES notation for 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
The canonical SMILES for 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one is CC(O)Cn1cnc2c(Br)cccc2c1=O.
What is the InChIKey of 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
The InChIKey is DMZWUOXMGZZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7(15)5-14-6-13-10-8(11(14)16)3-2-4-9(10)12/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
8-bromo-3-(2-hydroxypropyl)quinazolin-4-one has a molecular weight of 283.12 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-hydroxypropyl)quinazolin-4-one is sourced from PubChem (CID 117264522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).