3-(2-hydroxyethyl)quinazolin-4-one

C10H10N2O2 — CID 12943120

IUPAC3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCO
InChIInChI=1S/C10H10N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h1-4,7,13H,5-6H2
InChIKeyOCFIUNGSKQZESJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.39
Rot. Bonds2

About 3-(2-hydroxyethyl)quinazolin-4-one

3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 12943120) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID12943120
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCO
InChIInChI=1S/C10H10N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h1-4,7,13H,5-6H2
InChIKeyOCFIUNGSKQZESJ-UHFFFAOYSA-N
XLogP0.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)quinazolin-4-one (CID 12943120) is 3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2ccccc2ncn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is OCFIUNGSKQZESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h1-4,7,13H,5-6H2.
What are the key properties of 3-(2-hydroxyethyl)quinazolin-4-one?
3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 12943120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).