3-(quinolin-2-ylmethylimino)isoindol-1-one

C18H13N3O — CID 135997670

IUPAC3-(quinolin-2-ylmethylimino)isoindol-1-one
SMILESO=C1N/C(=N\Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C18H13N3O/c22-18-15-7-3-2-6-14(15)17(21-18)19-11-13-10-9-12-5-1-4-8-16(12)20-13/h1-10H,11H2,(H,19,21,22)
InChIKeyCXPPMFATPCYNDX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.92
Rot. Bonds2

About 3-(quinolin-2-ylmethylimino)isoindol-1-one

3-(quinolin-2-ylmethylimino)isoindol-1-one (PubChem CID 135997670) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(quinolin-2-ylmethylimino)isoindol-1-one.

Molecular Properties

Compound Name3-(quinolin-2-ylmethylimino)isoindol-1-one
PubChem CID135997670
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(quinolin-2-ylmethylimino)isoindol-1-one
SMILESO=C1N/C(=N\Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C18H13N3O/c22-18-15-7-3-2-6-14(15)17(21-18)19-11-13-10-9-12-5-1-4-8-16(12)20-13/h1-10H,11H2,(H,19,21,22)
InChIKeyCXPPMFATPCYNDX-UHFFFAOYSA-N
XLogP2.92
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(quinolin-2-ylmethylimino)isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one
CID 130474109
CID 89210421
CID 89210421
3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
CID 135996475
2-(iodomethyl)quinoline
CID 19432604
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
5-(quinolin-2-ylmethyl)pyrrolidin-2-one
CID 113441322
3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one
CID 158495411
2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
CID 130399990
ethane;2-quinolin-2-ylindene-1,3-dione
CID 123277831
lithium isoindole-1,3-dione
CID 18764300
hydron;isoindole-1,3-dione
CID 174301362
isoindole-1,3-dione;phosphane
CID 89428738

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-2-ylmethylimino)isoindol-1-one?
The IUPAC name of 3-(quinolin-2-ylmethylimino)isoindol-1-one (CID 135997670) is 3-(quinolin-2-ylmethylimino)isoindol-1-one.
What is the SMILES notation for 3-(quinolin-2-ylmethylimino)isoindol-1-one?
The canonical SMILES for 3-(quinolin-2-ylmethylimino)isoindol-1-one is O=C1N/C(=N\Cc2ccc3ccccc3n2)c2ccccc21.
What is the InChIKey of 3-(quinolin-2-ylmethylimino)isoindol-1-one?
The InChIKey is CXPPMFATPCYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-15-7-3-2-6-14(15)17(21-18)19-11-13-10-9-12-5-1-4-8-16(12)20-13/h1-10H,11H2,(H,19,21,22).
What are the key properties of 3-(quinolin-2-ylmethylimino)isoindol-1-one?
3-(quinolin-2-ylmethylimino)isoindol-1-one has a molecular weight of 287.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-2-ylmethylimino)isoindol-1-one is sourced from PubChem (CID 135997670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).