2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one

C11H9ClN2O3 — CID 117263866

IUPAC2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1c(Cl)nc2ccc(O)cc2c1=O
InChIInChI=1S/C11H9ClN2O3/c1-6(15)5-14-10(17)8-4-7(16)2-3-9(8)13-11(14)12/h2-4,16H,5H2,1H3
InChIKeyQVCLCTZIMJSLTN-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.34
Rot. Bonds2

About 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one

2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one (PubChem CID 117263866) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
PubChem CID117263866
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1c(Cl)nc2ccc(O)cc2c1=O
InChIInChI=1S/C11H9ClN2O3/c1-6(15)5-14-10(17)8-4-7(16)2-3-9(8)13-11(14)12/h2-4,16H,5H2,1H3
InChIKeyQVCLCTZIMJSLTN-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one?
The IUPAC name of 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one (CID 117263866) is 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one.
What is the SMILES notation for 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one?
The canonical SMILES for 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one is CC(=O)Cn1c(Cl)nc2ccc(O)cc2c1=O.
What is the InChIKey of 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one?
The InChIKey is QVCLCTZIMJSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-6(15)5-14-10(17)8-4-7(16)2-3-9(8)13-11(14)12/h2-4,16H,5H2,1H3.
What are the key properties of 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one?
2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one has a molecular weight of 252.66 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one is sourced from PubChem (CID 117263866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).