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

C15H13BrN2O — CID 164880766

IUPAC5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc(C2NC(=O)c3c(Br)cccc3N2)c1
InChIInChI=1S/C15H13BrN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
InChIKeyPXWIXTCIXZCREB-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.61
Rot. Bonds1

About 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one

5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 164880766) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID164880766
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc(C2NC(=O)c3c(Br)cccc3N2)c1
InChIInChI=1S/C15H13BrN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
InChIKeyPXWIXTCIXZCREB-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 164880766) is 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is Cc1cccc(C2NC(=O)c3c(Br)cccc3N2)c1.
What is the InChIKey of 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is PXWIXTCIXZCREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 317.19 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 164880766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).