2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione

C17H15N3O3 — CID 162782736

IUPAC2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione
SMILESCn1nc2c(cc1=O)CCC(N1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C17H15N3O3/c1-19-15(21)8-10-6-7-11(9-14(10)18-19)20-16(22)12-4-2-3-5-13(12)17(20)23/h2-5,8,11H,6-7,9H2,1H3
InChIKeyCHNDPNJWVOOYHH-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.93
Rot. Bonds1

About 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione

2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione (PubChem CID 162782736) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione
PubChem CID162782736
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione
SMILESCn1nc2c(cc1=O)CCC(N1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C17H15N3O3/c1-19-15(21)8-10-6-7-11(9-14(10)18-19)20-16(22)12-4-2-3-5-13(12)17(20)23/h2-5,8,11H,6-7,9H2,1H3
InChIKeyCHNDPNJWVOOYHH-UHFFFAOYSA-N
XLogP0.93
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)isoindole-1,3-dione
CID 162782737
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 121199716
(6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one
CID 7055655
2-[(6S)-5,8-dimethoxy-6,7-dimethyl-1,2,3,4,6,7-hexahydronaphthalen-2-yl]isoindole-1,3-dione
CID 174151514
2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 155310620
2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 163656635
2-methyl-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepin-3-one;hydrochloride
CID 86686060
2-cyclodecylisoindole-1,3-dione
CID 123786237
3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
CID 79672188
2-[(2S)-5-nitro-2,3-dihydro-1H-inden-2-yl]isoindole-1,3-dione
CID 95608266
azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
CID 138706686

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione (CID 162782736) is 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione is Cn1nc2c(cc1=O)CCC(N1C(=O)c3ccccc3C1=O)C2.
What is the InChIKey of 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione?
The InChIKey is CHNDPNJWVOOYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-19-15(21)8-10-6-7-11(9-14(10)18-19)20-16(22)12-4-2-3-5-13(12)17(20)23/h2-5,8,11H,6-7,9H2,1H3.
What are the key properties of 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione?
2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione has a molecular weight of 309.32 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione is sourced from PubChem (CID 162782736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).