3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one

C24H15BrN2O — CID 164674953

IUPAC3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one
SMILESO=c1c2ccccc2cc(-c2ccc(Br)cc2)n1-c1cccc2cccnc12
InChIInChI=1S/C24H15BrN2O/c25-19-12-10-16(11-13-19)22-15-18-5-1-2-8-20(18)24(28)27(22)21-9-3-6-17-7-4-14-26-23(17)21/h1-15H
InChIKeyCZRDMUKDAGCILW-UHFFFAOYSA-N
MW427.30 g/mol
LogP5.97
Rot. Bonds2

About 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one

3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one (PubChem CID 164674953) has the molecular formula C24H15BrN2O and a molecular weight of 427.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one
PubChem CID164674953
Molecular FormulaC24H15BrN2O
Molecular Weight427.30 g/mol
Exact Mass426.04
IUPAC Name3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one
SMILESO=c1c2ccccc2cc(-c2ccc(Br)cc2)n1-c1cccc2cccnc12
InChIInChI=1S/C24H15BrN2O/c25-19-12-10-16(11-13-19)22-15-18-5-1-2-8-20(18)24(28)27(22)21-9-3-6-17-7-4-14-26-23(17)21/h1-15H
InChIKeyCZRDMUKDAGCILW-UHFFFAOYSA-N
XLogP5.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.30
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one?
The IUPAC name of 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one (CID 164674953) is 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one?
The canonical SMILES for 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one is O=c1c2ccccc2cc(-c2ccc(Br)cc2)n1-c1cccc2cccnc12.
What is the InChIKey of 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one?
The InChIKey is CZRDMUKDAGCILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2O/c25-19-12-10-16(11-13-19)22-15-18-5-1-2-8-20(18)24(28)27(22)21-9-3-6-17-7-4-14-26-23(17)21/h1-15H.
What are the key properties of 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one?
3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one has a molecular weight of 427.30 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-quinolin-8-ylisoquinolin-1-one is sourced from PubChem (CID 164674953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).