3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one

C20H14BrN3O — CID 1366713

IUPAC3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cn2)cc1
InChIInChI=1S/C20H14BrN3O/c1-13-6-8-14(9-7-13)19-23-17-5-3-2-4-16(17)20(25)24(19)18-11-10-15(21)12-22-18/h2-12H,1H3
InChIKeyTUMHTHIBYJWBHQ-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.52
Rot. Bonds2

About 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one

3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 1366713) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one
PubChem CID1366713
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cn2)cc1
InChIInChI=1S/C20H14BrN3O/c1-13-6-8-14(9-7-13)19-23-17-5-3-2-4-16(17)20(25)24(19)18-11-10-15(21)12-22-18/h2-12H,1H3
InChIKeyTUMHTHIBYJWBHQ-UHFFFAOYSA-N
XLogP4.52
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one (CID 1366713) is 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cn2)cc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is TUMHTHIBYJWBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O/c1-13-6-8-14(9-7-13)19-23-17-5-3-2-4-16(17)20(25)24(19)18-11-10-15(21)12-22-18/h2-12H,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one?
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 392.26 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 1366713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).