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

C11H11BrN2O2 — CID 117263443

IUPAC5-bromo-3-(2-hydroxypropyl)quinazolin-4-one
SMILESCC(O)Cn1cnc2cccc(Br)c2c1=O
InChIInChI=1S/C11H11BrN2O2/c1-7(15)5-14-6-13-9-4-2-3-8(12)10(9)11(14)16/h2-4,6-7,15H,5H2,1H3
InChIKeyNAYRSLKBSAYVGJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.54
Rot. Bonds2

About 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one

5-bromo-3-(2-hydroxypropyl)quinazolin-4-one (PubChem CID 117263443) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-hydroxypropyl)quinazolin-4-one
PubChem CID117263443
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-bromo-3-(2-hydroxypropyl)quinazolin-4-one
SMILESCC(O)Cn1cnc2cccc(Br)c2c1=O
InChIInChI=1S/C11H11BrN2O2/c1-7(15)5-14-6-13-9-4-2-3-8(12)10(9)11(14)16/h2-4,6-7,15H,5H2,1H3
InChIKeyNAYRSLKBSAYVGJ-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

3-(2-aminopropyl)-5-bromoquinazolin-4-one
CID 117263719
8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264522
5-bromo-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117263765
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166
3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]-4-oxoquinazoline-5-carbonitrile
CID 167812058
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
1-(benzotriazol-2-yl)propan-2-ol
CID 130122320
1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol
CID 22504210
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
2-[4-oxo-5-(trifluoromethyl)quinazolin-3-yl]acetaldehyde
CID 117263455

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
The IUPAC name of 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one (CID 117263443) is 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one.
What is the SMILES notation for 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
The canonical SMILES for 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one is CC(O)Cn1cnc2cccc(Br)c2c1=O.
What is the InChIKey of 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
The InChIKey is NAYRSLKBSAYVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7(15)5-14-6-13-9-4-2-3-8(12)10(9)11(14)16/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one?
5-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 5-bromo-3-(2-hydroxypropyl)quinazolin-4-one is sourced from PubChem (CID 117263443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).