5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one

C18H12BrClN2O — CID 14171580

IUPAC5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one
SMILESO=c1c2ccc(Cl)cc2n(Cc2ccccc2)n2c(Br)ccc12
InChIInChI=1S/C18H12BrClN2O/c19-17-9-8-15-18(23)14-7-6-13(20)10-16(14)21(22(15)17)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyWFFLKAJCCNCDTR-UHFFFAOYSA-N
MW387.66 g/mol
LogP4.72
Rot. Bonds2

About 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one

5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one (PubChem CID 14171580) has the molecular formula C18H12BrClN2O and a molecular weight of 387.66 g/mol. Its IUPAC name is 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one.

Molecular Properties

Compound Name5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one
PubChem CID14171580
Molecular FormulaC18H12BrClN2O
Molecular Weight387.66 g/mol
Exact Mass385.98
IUPAC Name5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one
SMILESO=c1c2ccc(Cl)cc2n(Cc2ccccc2)n2c(Br)ccc12
InChIInChI=1S/C18H12BrClN2O/c19-17-9-8-15-18(23)14-7-6-13(20)10-16(14)21(22(15)17)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyWFFLKAJCCNCDTR-UHFFFAOYSA-N
XLogP4.72
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.66
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one?
The IUPAC name of 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one (CID 14171580) is 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one.
What is the SMILES notation for 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one?
The canonical SMILES for 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one is O=c1c2ccc(Cl)cc2n(Cc2ccccc2)n2c(Br)ccc12.
What is the InChIKey of 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one?
The InChIKey is WFFLKAJCCNCDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2O/c19-17-9-8-15-18(23)14-7-6-13(20)10-16(14)21(22(15)17)11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one?
5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one has a molecular weight of 387.66 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one is sourced from PubChem (CID 14171580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).