1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione

C15H11FN2O3 — CID 52936428

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccc(F)cc2)c(=O)n1O
InChIInChI=1S/C15H11FN2O3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(19)18(21)15(17)20/h1-8,21H,9H2
InChIKeyBPGRGXQXUWJIRE-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.59
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione

1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione (PubChem CID 52936428) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
PubChem CID52936428
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccc(F)cc2)c(=O)n1O
InChIInChI=1S/C15H11FN2O3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(19)18(21)15(17)20/h1-8,21H,9H2
InChIKeyBPGRGXQXUWJIRE-UHFFFAOYSA-N
XLogP1.59
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione (CID 52936428) is 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione is O=c1c2ccccc2n(Cc2ccc(F)cc2)c(=O)n1O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione?
The InChIKey is BPGRGXQXUWJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(19)18(21)15(17)20/h1-8,21H,9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione?
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione has a molecular weight of 286.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione is sourced from PubChem (CID 52936428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).