6-bromo-2-quinolin-6-yl-3H-isoindol-1-one

C17H11BrN2O — CID 59543385

IUPAC6-bromo-2-quinolin-6-yl-3H-isoindol-1-one
SMILESO=C1c2cc(Br)ccc2CN1c1ccc2ncccc2c1
InChIInChI=1S/C17H11BrN2O/c18-13-4-3-12-10-20(17(21)15(12)9-13)14-5-6-16-11(8-14)2-1-7-19-16/h1-9H,10H2
InChIKeyXNSGFQSYCKFFJR-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.16
Rot. Bonds1

About 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one

6-bromo-2-quinolin-6-yl-3H-isoindol-1-one (PubChem CID 59543385) has the molecular formula C17H11BrN2O and a molecular weight of 339.19 g/mol. Its IUPAC name is 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-bromo-2-quinolin-6-yl-3H-isoindol-1-one
PubChem CID59543385
Molecular FormulaC17H11BrN2O
Molecular Weight339.19 g/mol
Exact Mass338.01
IUPAC Name6-bromo-2-quinolin-6-yl-3H-isoindol-1-one
SMILESO=C1c2cc(Br)ccc2CN1c1ccc2ncccc2c1
InChIInChI=1S/C17H11BrN2O/c18-13-4-3-12-10-20(17(21)15(12)9-13)14-5-6-16-11(8-14)2-1-7-19-16/h1-9H,10H2
InChIKeyXNSGFQSYCKFFJR-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Quinolin-8-ylisoindole-1,3-dione
CID 615346
Jwh-387
CID 71454233
2-Bromo-N-quinolin-6-yl-benzamide
CID 813516
3-bromo-N-quinolin-5-ylbenzamide
CID 930554
2-(3-bromophenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 5182253
5-(3-bromoanilino)-3-(1H-indol-4-yl)-1H-pyridin-2-one
CID 156717184
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1294296
1-Butyl-3-isoquinolin-5-yliminoindol-2-one
CID 2554227
2-[1-(4-Bromo-benzyl)-1H-indol-3-yl]-N,N-dipropyl-acetamide
CID 10094023
Quinolinium, 1-[2-(4-bromophenyl)-2-oxoethyl]-, bromide
CID 10669105
(4-Bromo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone
CID 11619558
N-(4-bromo-2-((1,3-dioxoisoindolin-2-yl)methyl)phenyl)picolinamide
CID 44398255

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one?
The IUPAC name of 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one (CID 59543385) is 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one.
What is the SMILES notation for 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one?
The canonical SMILES for 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one is O=C1c2cc(Br)ccc2CN1c1ccc2ncccc2c1.
What is the InChIKey of 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one?
The InChIKey is XNSGFQSYCKFFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O/c18-13-4-3-12-10-20(17(21)15(12)9-13)14-5-6-16-11(8-14)2-1-7-19-16/h1-9H,10H2.
What are the key properties of 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one?
6-bromo-2-quinolin-6-yl-3H-isoindol-1-one has a molecular weight of 339.19 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-quinolin-6-yl-3H-isoindol-1-one is sourced from PubChem (CID 59543385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).