3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one

C14H10BrN3O — CID 870187

IUPAC3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Br)cn1
InChIInChI=1S/C14H10BrN3O/c1-9-17-12-5-3-2-4-11(12)14(19)18(9)13-7-6-10(15)8-16-13/h2-8H,1H3
InChIKeyYGFDWUFSIQOLJL-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.85
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one

3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one (PubChem CID 870187) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one
PubChem CID870187
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Br)cn1
InChIInChI=1S/C14H10BrN3O/c1-9-17-12-5-3-2-4-11(12)14(19)18(9)13-7-6-10(15)8-16-13/h2-8H,1H3
InChIKeyYGFDWUFSIQOLJL-UHFFFAOYSA-N
XLogP2.85
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.85
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-methylquinazolin-4-one?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one (CID 870187) is 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one?
The InChIKey is YGFDWUFSIQOLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-9-17-12-5-3-2-4-11(12)14(19)18(9)13-7-6-10(15)8-16-13/h2-8H,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one?
3-(5-bromo-2-pyridinyl)-2-methylquinazolin-4-one has a molecular weight of 316.16 g/mol, XLogP of 2.85, 1 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-methylquinazolin-4-one is sourced from PubChem (CID 870187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).