2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one

C12H10N2O3 — CID 19577722

IUPAC2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccoc2)N1O
InChIInChI=1S/C12H10N2O3/c15-12-9-3-1-2-4-10(9)13-11(14(12)16)8-5-6-17-7-8/h1-7,11,13,16H
InChIKeyUDVGVFNIXFCLML-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.24
Rot. Bonds1

About 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one

2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (PubChem CID 19577722) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
PubChem CID19577722
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccoc2)N1O
InChIInChI=1S/C12H10N2O3/c15-12-9-3-1-2-4-10(9)13-11(14(12)16)8-5-6-17-7-8/h1-7,11,13,16H
InChIKeyUDVGVFNIXFCLML-UHFFFAOYSA-N
XLogP2.24
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (CID 19577722) is 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccoc2)N1O.
What is the InChIKey of 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The InChIKey is UDVGVFNIXFCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12-9-3-1-2-4-10(9)13-11(14(12)16)8-5-6-17-7-8/h1-7,11,13,16H.
What are the key properties of 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one has a molecular weight of 230.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 19577722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).