2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C14H13N2O2P — CID 70948912

IUPAC2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2OP)Nc2ccccc21
InChIInChI=1S/C14H13N2O2P/c17-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)18-19/h1-8,13,15H,19H2,(H,16,17)
InChIKeyUJGSQJQOMKSLNM-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.71
Rot. Bonds2

About 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 70948912) has the molecular formula C14H13N2O2P and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID70948912
Molecular FormulaC14H13N2O2P
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2OP)Nc2ccccc21
InChIInChI=1S/C14H13N2O2P/c17-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)18-19/h1-8,13,15H,19H2,(H,16,17)
InChIKeyUJGSQJQOMKSLNM-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 70948912) is 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccccc2OP)Nc2ccccc21.
What is the InChIKey of 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is UJGSQJQOMKSLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2O2P/c17-14-9-5-1-3-7-11(9)15-13(16-14)10-6-2-4-8-12(10)18-19/h1-8,13,15H,19H2,(H,16,17).
What are the key properties of 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 272.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 70948912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).