5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one

C18H11BrN2O — CID 174756197

IUPAC5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
SMILESC=C1c2cc(Br)ccc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C18H11BrN2O/c1-11-15-10-13(19)7-8-14(15)18(22)21(11)16-6-2-4-12-5-3-9-20-17(12)16/h2-10H,1H2
InChIKeyHNLWRLLOKPHULY-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.63
Rot. Bonds1

About 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one

5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one (PubChem CID 174756197) has the molecular formula C18H11BrN2O and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one.

Molecular Properties

Compound Name5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
PubChem CID174756197
Molecular FormulaC18H11BrN2O
Molecular Weight351.20 g/mol
Exact Mass350.01
IUPAC Name5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
SMILESC=C1c2cc(Br)ccc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C18H11BrN2O/c1-11-15-10-13(19)7-8-14(15)18(22)21(11)16-6-2-4-12-5-3-9-20-17(12)16/h2-10H,1H2
InChIKeyHNLWRLLOKPHULY-UHFFFAOYSA-N
XLogP4.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 141397233
5-bromo-3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylisoindol-1-one
CID 122202711
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
CID 2168091
(3E)-3-benzylidene-5-methoxy-2-quinolin-8-ylisoindol-1-one
CID 122382793
(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one
CID 166443807
(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
CID 102337270
5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione
CID 4577389
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one
CID 166443239
4-(4-chlorophenoxy)-2-quinolin-8-ylisoindole-1,3-dione
CID 1329880
2-benzo[h]quinolin-10-yl-5-bromoaniline
CID 129037776

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one?
The IUPAC name of 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one (CID 174756197) is 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one.
What is the SMILES notation for 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one?
The canonical SMILES for 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one is C=C1c2cc(Br)ccc2C(=O)N1c1cccc2cccnc12.
What is the InChIKey of 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one?
The InChIKey is HNLWRLLOKPHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O/c1-11-15-10-13(19)7-8-14(15)18(22)21(11)16-6-2-4-12-5-3-9-20-17(12)16/h2-10H,1H2.
What are the key properties of 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one?
5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one has a molecular weight of 351.20 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one is sourced from PubChem (CID 174756197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).