2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one

C18H20N2O2 — CID 54779481

IUPAC2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one
SMILESCCCOc1ccccc1C1(C)NC(=O)c2ccccc2N1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-16-11-7-5-9-14(16)18(2)19-15-10-6-4-8-13(15)17(21)20-18/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyGBXSTZFGDWHONP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.50
Rot. Bonds4

About 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one

2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one (PubChem CID 54779481) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one
PubChem CID54779481
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one
SMILESCCCOc1ccccc1C1(C)NC(=O)c2ccccc2N1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-16-11-7-5-9-14(16)18(2)19-15-10-6-4-8-13(15)17(21)20-18/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyGBXSTZFGDWHONP-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one (CID 54779481) is 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one is CCCOc1ccccc1C1(C)NC(=O)c2ccccc2N1.
What is the InChIKey of 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one?
The InChIKey is GBXSTZFGDWHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-22-16-11-7-5-9-14(16)18(2)19-15-10-6-4-8-13(15)17(21)20-18/h4-11,19H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one?
2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 54779481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).