4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one

C14H12N2O3 — CID 136722326

IUPAC4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one
SMILESO=C1CCCC(O)=C1c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H12N2O3/c17-10-6-3-7-11(18)12(10)13-8-4-1-2-5-9(8)15-14(19)16-13/h1-2,4-5,17H,3,6-7H2,(H,15,16,19)
InChIKeyAUYZHBGOIZMIDS-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.95
Rot. Bonds1

About 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one

4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one (PubChem CID 136722326) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one
PubChem CID136722326
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one
SMILESO=C1CCCC(O)=C1c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H12N2O3/c17-10-6-3-7-11(18)12(10)13-8-4-1-2-5-9(8)15-14(19)16-13/h1-2,4-5,17H,3,6-7H2,(H,15,16,19)
InChIKeyAUYZHBGOIZMIDS-UHFFFAOYSA-N
XLogP1.95
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one?
The IUPAC name of 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one (CID 136722326) is 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one?
The canonical SMILES for 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one is O=C1CCCC(O)=C1c1nc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one?
The InChIKey is AUYZHBGOIZMIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-10-6-3-7-11(18)12(10)13-8-4-1-2-5-9(8)15-14(19)16-13/h1-2,4-5,17H,3,6-7H2,(H,15,16,19).
What are the key properties of 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one?
4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-6-oxocyclohexen-1-yl)-1H-quinazolin-2-one is sourced from PubChem (CID 136722326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).