3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione

C13H16N2O3 — CID 117262422

IUPAC3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(CC(C)O)c(=O)n2C
InChIInChI=1S/C13H16N2O3/c1-8-4-5-11-10(6-8)12(17)15(7-9(2)16)13(18)14(11)3/h4-6,9,16H,7H2,1-3H3
InChIKeyLLWBHCBXMDNARX-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.39
Rot. Bonds2

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

3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione (PubChem CID 117262422) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
PubChem CID117262422
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)n(CC(C)O)c(=O)n2C
InChIInChI=1S/C13H16N2O3/c1-8-4-5-11-10(6-8)12(17)15(7-9(2)16)13(18)14(11)3/h4-6,9,16H,7H2,1-3H3
InChIKeyLLWBHCBXMDNARX-UHFFFAOYSA-N
XLogP0.39
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262430
6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262431
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
4-[(1,6-dimethyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohepta-1,3,6-triene-1-carboxylic acid;ethane
CID 142859045
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262593
3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
CID 117262041
5-bromo-1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
CID 15025779
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166
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
3-[1-[(2S)-2-hydroxypropyl]azetidin-3-yl]-4,7-dimethylpyrazolo[5,4-c]isoquinolin-5-one
CID 175953471

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione?
The IUPAC name of 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione (CID 117262422) is 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione.
What is the SMILES notation for 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione?
The canonical SMILES for 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione is Cc1ccc2c(c1)c(=O)n(CC(C)O)c(=O)n2C.
What is the InChIKey of 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione?
The InChIKey is LLWBHCBXMDNARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-4-5-11-10(6-8)12(17)15(7-9(2)16)13(18)14(11)3/h4-6,9,16H,7H2,1-3H3.
What are the key properties of 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione?
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione is sourced from PubChem (CID 117262422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).