6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one

C18H18N2O2 — CID 135965650

IUPAC6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one
SMILESCCCOCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-2-10-22-12-17-19-16-9-8-14(11-15(16)18(21)20-17)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,21)
InChIKeySVKOVAGSTLTJST-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.52
Rot. Bonds5

About 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one

6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one (PubChem CID 135965650) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one
PubChem CID135965650
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one
SMILESCCCOCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-2-10-22-12-17-19-16-9-8-14(11-15(16)18(21)20-17)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,21)
InChIKeySVKOVAGSTLTJST-UHFFFAOYSA-N
XLogP3.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one?
The IUPAC name of 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one (CID 135965650) is 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one is CCCOCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one?
The InChIKey is SVKOVAGSTLTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-10-22-12-17-19-16-9-8-14(11-15(16)18(21)20-17)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,21).
What are the key properties of 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one?
6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(propoxymethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135965650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).