8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one

C15H14BrClN2O — CID 71314223

IUPAC8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one
SMILESCCCCc1nc(Cl)c2n1Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C15H14BrClN2O/c1-2-3-4-12-18-15(17)13-14(20)11-7-10(16)6-5-9(11)8-19(12)13/h5-7H,2-4,8H2,1H3
InChIKeyRBNJODIFPPEZMQ-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.23
Rot. Bonds3

About 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one

8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one (PubChem CID 71314223) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one.

Molecular Properties

Compound Name8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one
PubChem CID71314223
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one
SMILESCCCCc1nc(Cl)c2n1Cc1ccc(Br)cc1C2=O
InChIInChI=1S/C15H14BrClN2O/c1-2-3-4-12-18-15(17)13-14(20)11-7-10(16)6-5-9(11)8-19(12)13/h5-7H,2-4,8H2,1H3
InChIKeyRBNJODIFPPEZMQ-UHFFFAOYSA-N
XLogP4.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one?
The IUPAC name of 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one (CID 71314223) is 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one.
What is the SMILES notation for 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one?
The canonical SMILES for 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one is CCCCc1nc(Cl)c2n1Cc1ccc(Br)cc1C2=O.
What is the InChIKey of 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one?
The InChIKey is RBNJODIFPPEZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-2-3-4-12-18-15(17)13-14(20)11-7-10(16)6-5-9(11)8-19(12)13/h5-7H,2-4,8H2,1H3.
What are the key properties of 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one?
8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one has a molecular weight of 353.65 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-butyl-1-chloro-5H-imidazo[1,5-b]isoquinolin-10-one is sourced from PubChem (CID 71314223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).