8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one

C12H10BrClN2O — CID 170450465

IUPAC8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
SMILESCc1cc(Br)c2nc(Cl)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C12H10BrClN2O/c1-6-4-8-10(9(13)5-6)15-12(14)16(11(8)17)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyKMUJOAMVZQPLBM-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.46
Rot. Bonds1

About 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one

8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one (PubChem CID 170450465) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
PubChem CID170450465
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
SMILESCc1cc(Br)c2nc(Cl)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C12H10BrClN2O/c1-6-4-8-10(9(13)5-6)15-12(14)16(11(8)17)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyKMUJOAMVZQPLBM-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one?
The IUPAC name of 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one (CID 170450465) is 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one.
What is the SMILES notation for 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one?
The canonical SMILES for 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one is Cc1cc(Br)c2nc(Cl)n(C3CC3)c(=O)c2c1.
What is the InChIKey of 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one?
The InChIKey is KMUJOAMVZQPLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-6-4-8-10(9(13)5-6)15-12(14)16(11(8)17)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one?
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one has a molecular weight of 313.58 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one is sourced from PubChem (CID 170450465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).