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

C16H16N2O2 — CID 17407034

IUPAC2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(C2NC(=O)c3ccccc3N2)cc1C
InChIInChI=1S/C16H16N2O2/c1-10-9-11(7-8-14(10)20-2)15-17-13-6-4-3-5-12(13)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyAHFSWWPUTXDUQV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.86
Rot. Bonds2

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

2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 17407034) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID17407034
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(C2NC(=O)c3ccccc3N2)cc1C
InChIInChI=1S/C16H16N2O2/c1-10-9-11(7-8-14(10)20-2)15-17-13-6-4-3-5-12(13)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyAHFSWWPUTXDUQV-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 17407034) is 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is COc1ccc(C2NC(=O)c3ccccc3N2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is AHFSWWPUTXDUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-9-11(7-8-14(10)20-2)15-17-13-6-4-3-5-12(13)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 268.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 17407034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).