2-(phenoxymethyl)-3H-quinazolin-4-one

C15H12N2O2 — CID 135416161

IUPAC2-(phenoxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2ccccc2)nc2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-19-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeySEGUYJLINGHDJK-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.50
Rot. Bonds3

About 2-(phenoxymethyl)-3H-quinazolin-4-one

2-(phenoxymethyl)-3H-quinazolin-4-one (PubChem CID 135416161) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-3H-quinazolin-4-one
PubChem CID135416161
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(phenoxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2ccccc2)nc2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-19-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeySEGUYJLINGHDJK-UHFFFAOYSA-N
XLogP2.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(phenoxymethyl)-3H-quinazolin-4-one (CID 135416161) is 2-(phenoxymethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(phenoxymethyl)-3H-quinazolin-4-one is O=c1[nH]c(COc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(phenoxymethyl)-3H-quinazolin-4-one?
The InChIKey is SEGUYJLINGHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-19-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18).
What are the key properties of 2-(phenoxymethyl)-3H-quinazolin-4-one?
2-(phenoxymethyl)-3H-quinazolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135416161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).