N-(6-bromo-2-chloroquinazolin-4-yl)acetamide

C10H7BrClN3O — CID 133061494

IUPACN-(6-bromo-2-chloroquinazolin-4-yl)acetamide
SMILESCC(=O)Nc1nc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN3O/c1-5(16)13-9-7-4-6(11)2-3-8(7)14-10(12)15-9/h2-4H,1H3,(H,13,14,15,16)
InChIKeySUHXHJPCWVDCEY-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.00
Rot. Bonds1

About N-(6-bromo-2-chloroquinazolin-4-yl)acetamide

N-(6-bromo-2-chloroquinazolin-4-yl)acetamide (PubChem CID 133061494) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is N-(6-bromo-2-chloroquinazolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-chloroquinazolin-4-yl)acetamide
PubChem CID133061494
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC NameN-(6-bromo-2-chloroquinazolin-4-yl)acetamide
SMILESCC(=O)Nc1nc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN3O/c1-5(16)13-9-7-4-6(11)2-3-8(7)14-10(12)15-9/h2-4H,1H3,(H,13,14,15,16)
InChIKeySUHXHJPCWVDCEY-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-chloroquinazolin-4-yl)acetamide?
The IUPAC name of N-(6-bromo-2-chloroquinazolin-4-yl)acetamide (CID 133061494) is N-(6-bromo-2-chloroquinazolin-4-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2-chloroquinazolin-4-yl)acetamide?
The canonical SMILES for N-(6-bromo-2-chloroquinazolin-4-yl)acetamide is CC(=O)Nc1nc(Cl)nc2ccc(Br)cc12.
What is the InChIKey of N-(6-bromo-2-chloroquinazolin-4-yl)acetamide?
The InChIKey is SUHXHJPCWVDCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c1-5(16)13-9-7-4-6(11)2-3-8(7)14-10(12)15-9/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of N-(6-bromo-2-chloroquinazolin-4-yl)acetamide?
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide has a molecular weight of 300.54 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-chloroquinazolin-4-yl)acetamide is sourced from PubChem (CID 133061494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).