3-(2,2-dihydroxypropyl)quinazolin-4-one

C11H12N2O3 — CID 142014716

IUPAC3-(2,2-dihydroxypropyl)quinazolin-4-one
SMILESCC(O)(O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C11H12N2O3/c1-11(15,16)6-13-7-12-9-5-3-2-4-8(9)10(13)14/h2-5,7,15-16H,6H2,1H3
InChIKeyWDABLMBWJKXQKX-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.10
Rot. Bonds2

About 3-(2,2-dihydroxypropyl)quinazolin-4-one

3-(2,2-dihydroxypropyl)quinazolin-4-one (PubChem CID 142014716) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2,2-dihydroxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2,2-dihydroxypropyl)quinazolin-4-one
PubChem CID142014716
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(2,2-dihydroxypropyl)quinazolin-4-one
SMILESCC(O)(O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C11H12N2O3/c1-11(15,16)6-13-7-12-9-5-3-2-4-8(9)10(13)14/h2-5,7,15-16H,6H2,1H3
InChIKeyWDABLMBWJKXQKX-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-propylquinazolin-4-one
CID 529124
3-[2-(bromomethyl)-2-propylpentyl]quinazolin-4-one
CID 65006026
ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
CID 158474747
3-[2-hydroxy-2-[(3R)-piperidin-3-yl]oxypropyl]quinazolin-4-one
CID 142014714
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143
3-prop-2-ynylquinazolin-4-one
CID 603496
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dihydroxypropyl)quinazolin-4-one?
The IUPAC name of 3-(2,2-dihydroxypropyl)quinazolin-4-one (CID 142014716) is 3-(2,2-dihydroxypropyl)quinazolin-4-one.
What is the SMILES notation for 3-(2,2-dihydroxypropyl)quinazolin-4-one?
The canonical SMILES for 3-(2,2-dihydroxypropyl)quinazolin-4-one is CC(O)(O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-(2,2-dihydroxypropyl)quinazolin-4-one?
The InChIKey is WDABLMBWJKXQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(15,16)6-13-7-12-9-5-3-2-4-8(9)10(13)14/h2-5,7,15-16H,6H2,1H3.
What are the key properties of 3-(2,2-dihydroxypropyl)quinazolin-4-one?
3-(2,2-dihydroxypropyl)quinazolin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dihydroxypropyl)quinazolin-4-one is sourced from PubChem (CID 142014716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).