7-bromo-2-ethyl-3H-quinazolin-4-one

C10H9BrN2O — CID 137009984

IUPAC7-bromo-2-ethyl-3H-quinazolin-4-one
SMILESCCc1nc2cc(Br)ccc2c(=O)[nH]1
InChIInChI=1S/C10H9BrN2O/c1-2-9-12-8-5-6(11)3-4-7(8)10(14)13-9/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyWMDJMFCNWZBHSV-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.25
Rot. Bonds1

About 7-bromo-2-ethyl-3H-quinazolin-4-one

7-bromo-2-ethyl-3H-quinazolin-4-one (PubChem CID 137009984) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 7-bromo-2-ethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethyl-3H-quinazolin-4-one
PubChem CID137009984
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name7-bromo-2-ethyl-3H-quinazolin-4-one
SMILESCCc1nc2cc(Br)ccc2c(=O)[nH]1
InChIInChI=1S/C10H9BrN2O/c1-2-9-12-8-5-6(11)3-4-7(8)10(14)13-9/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyWMDJMFCNWZBHSV-UHFFFAOYSA-N
XLogP2.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-3H-quinazolin-4-one?
The IUPAC name of 7-bromo-2-ethyl-3H-quinazolin-4-one (CID 137009984) is 7-bromo-2-ethyl-3H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-2-ethyl-3H-quinazolin-4-one?
The canonical SMILES for 7-bromo-2-ethyl-3H-quinazolin-4-one is CCc1nc2cc(Br)ccc2c(=O)[nH]1.
What is the InChIKey of 7-bromo-2-ethyl-3H-quinazolin-4-one?
The InChIKey is WMDJMFCNWZBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-2-9-12-8-5-6(11)3-4-7(8)10(14)13-9/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 7-bromo-2-ethyl-3H-quinazolin-4-one?
7-bromo-2-ethyl-3H-quinazolin-4-one has a molecular weight of 253.10 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-3H-quinazolin-4-one is sourced from PubChem (CID 137009984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).