8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one

C14H10BrN3O — CID 142793210

IUPAC8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one
SMILESCc1ncc(Br)cc1-c1cccc2c(=O)[nH]cnc12
InChIInChI=1S/C14H10BrN3O/c1-8-12(5-9(15)6-16-8)10-3-2-4-11-13(10)17-7-18-14(11)19/h2-7H,1H3,(H,17,18,19)
InChIKeyUSRZYDCDDARNDT-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.06
Rot. Bonds1

About 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one

8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one (PubChem CID 142793210) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one
PubChem CID142793210
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one
SMILESCc1ncc(Br)cc1-c1cccc2c(=O)[nH]cnc12
InChIInChI=1S/C14H10BrN3O/c1-8-12(5-9(15)6-16-8)10-3-2-4-11-13(10)17-7-18-14(11)19/h2-7H,1H3,(H,17,18,19)
InChIKeyUSRZYDCDDARNDT-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one?
The IUPAC name of 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one (CID 142793210) is 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one is Cc1ncc(Br)cc1-c1cccc2c(=O)[nH]cnc12.
What is the InChIKey of 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one?
The InChIKey is USRZYDCDDARNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-8-12(5-9(15)6-16-8)10-3-2-4-11-13(10)17-7-18-14(11)19/h2-7H,1H3,(H,17,18,19).
What are the key properties of 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one?
8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one has a molecular weight of 316.16 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one is sourced from PubChem (CID 142793210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).