3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

C14H16N2O3 — CID 163407956

IUPAC3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
SMILESO=C1NC2C(CCCC2c2ccccc2)C(=O)N1O
InChIInChI=1S/C14H16N2O3/c17-13-11-8-4-7-10(9-5-2-1-3-6-9)12(11)15-14(18)16(13)19/h1-3,5-6,10-12,19H,4,7-8H2,(H,15,18)
InChIKeyDJCCVGSLKUIWDU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.88
Rot. Bonds1

About 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione (PubChem CID 163407956) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
PubChem CID163407956
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
SMILESO=C1NC2C(CCCC2c2ccccc2)C(=O)N1O
InChIInChI=1S/C14H16N2O3/c17-13-11-8-4-7-10(9-5-2-1-3-6-9)12(11)15-14(18)16(13)19/h1-3,5-6,10-12,19H,4,7-8H2,(H,15,18)
InChIKeyDJCCVGSLKUIWDU-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione (CID 163407956) is 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione is O=C1NC2C(CCCC2c2ccccc2)C(=O)N1O.
What is the InChIKey of 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
The InChIKey is DJCCVGSLKUIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-11-8-4-7-10(9-5-2-1-3-6-9)12(11)15-14(18)16(13)19/h1-3,5-6,10-12,19H,4,7-8H2,(H,15,18).
What are the key properties of 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 163407956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).