3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one

C16H12N4O2 — CID 3244715

IUPAC3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cnc3ccccc3n2)N1O
InChIInChI=1S/C16H12N4O2/c21-16-10-5-1-2-6-11(10)19-15(20(16)22)14-9-17-12-7-3-4-8-13(12)18-14/h1-9,15,19,22H
InChIKeyKQTRFZPOCHAMMM-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.59
Rot. Bonds1

About 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one

3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 3244715) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID3244715
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cnc3ccccc3n2)N1O
InChIInChI=1S/C16H12N4O2/c21-16-10-5-1-2-6-11(10)19-15(20(16)22)14-9-17-12-7-3-4-8-13(12)18-14/h1-9,15,19,22H
InChIKeyKQTRFZPOCHAMMM-UHFFFAOYSA-N
XLogP2.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one (CID 3244715) is 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cnc3ccccc3n2)N1O.
What is the InChIKey of 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is KQTRFZPOCHAMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-16-10-5-1-2-6-11(10)19-15(20(16)22)14-9-17-12-7-3-4-8-13(12)18-14/h1-9,15,19,22H.
What are the key properties of 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 292.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-quinoxalin-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3244715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).