N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide

C10H8BrN3O2 — CID 135742304

IUPACN-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(Br)cccc2c(=O)[nH]1
InChIInChI=1S/C10H8BrN3O2/c1-5(15)12-10-13-8-6(9(16)14-10)3-2-4-7(8)11/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyLLSLGVNLBZYCDW-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.64
Rot. Bonds1

About N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide

N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide (PubChem CID 135742304) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
PubChem CID135742304
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC NameN-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(Br)cccc2c(=O)[nH]1
InChIInChI=1S/C10H8BrN3O2/c1-5(15)12-10-13-8-6(9(16)14-10)3-2-4-7(8)11/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyLLSLGVNLBZYCDW-UHFFFAOYSA-N
XLogP1.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide?
The IUPAC name of N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide (CID 135742304) is N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide.
What is the SMILES notation for N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide?
The canonical SMILES for N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide is CC(=O)Nc1nc2c(Br)cccc2c(=O)[nH]1.
What is the InChIKey of N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide?
The InChIKey is LLSLGVNLBZYCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-5(15)12-10-13-8-6(9(16)14-10)3-2-4-7(8)11/h2-4H,1H3,(H2,12,13,14,15,16).
What are the key properties of N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide?
N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide has a molecular weight of 282.10 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide is sourced from PubChem (CID 135742304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).