6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione

C12H13BrN2O3 — CID 117262431

IUPAC6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
SMILESCC(O)Cn1c(=O)c2cc(Br)ccc2n(C)c1=O
InChIInChI=1S/C12H13BrN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5,7,16H,6H2,1-2H3
InChIKeyVSXVOPZNCGYGLL-UHFFFAOYSA-N
MW313.15 g/mol
LogP0.84
Rot. Bonds2

About 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione

6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione (PubChem CID 117262431) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
PubChem CID117262431
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
SMILESCC(O)Cn1c(=O)c2cc(Br)ccc2n(C)c1=O
InChIInChI=1S/C12H13BrN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5,7,16H,6H2,1-2H3
InChIKeyVSXVOPZNCGYGLL-UHFFFAOYSA-N
XLogP0.84
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262430
5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
CID 15025779
3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
CID 117262041
3-[(3-bromophenyl)methyl]-6-(dimethylamino)-1-methylquinazoline-2,4-dione
CID 177030637
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262456
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
1-(5-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675916
(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol
CID 19439817
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
6-bromo-3-iodo-1,4-dimethylquinolin-2-one
CID 146585096
3-[(4-bromophenyl)methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione
CID 10139366

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione (CID 117262431) is 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione is CC(O)Cn1c(=O)c2cc(Br)ccc2n(C)c1=O.
What is the InChIKey of 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
The InChIKey is VSXVOPZNCGYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5,7,16H,6H2,1-2H3.
What are the key properties of 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione?
6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione has a molecular weight of 313.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 117262431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).