2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C20H22N2O2 — CID 892104

IUPAC2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(C1CCCCCCC1)C2=O
InChIInChI=1S/C20H22N2O2/c1-13-17-18(15-11-7-8-12-16(15)21-13)20(24)22(19(17)23)14-9-5-3-2-4-6-10-14/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyOZOINWKYMULJRK-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.25
Rot. Bonds1

About 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 892104) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID892104
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(C1CCCCCCC1)C2=O
InChIInChI=1S/C20H22N2O2/c1-13-17-18(15-11-7-8-12-16(15)21-13)20(24)22(19(17)23)14-9-5-3-2-4-6-10-14/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyOZOINWKYMULJRK-UHFFFAOYSA-N
XLogP4.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione 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

Rhetsinine
CID 99652
Olinone
CID 91668531
Luotonin A
CID 10334120
4-Methyl-1H-pyrrolo(3,4-c)quinoline-1,3(2H)-dione
CID 611339
Rosettacin
CID 24813913
2,4-Dimethyl-pyrrolo[3,4-c]quinoline-1,3-dione
CID 706730
(R)-2,6-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)nicotinamide
CID 25156752
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 122186510
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589857
1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione
CID 3707234
N-Ethyl-alpha-oxo-2-phenyl-1H-indole-3-acetamide
CID 3819583
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 7117510

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 892104) is 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccccc2c2c1C(=O)N(C1CCCCCCC1)C2=O.
What is the InChIKey of 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is OZOINWKYMULJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-17-18(15-11-7-8-12-16(15)21-13)20(24)22(19(17)23)14-9-5-3-2-4-6-10-14/h7-8,11-12,14H,2-6,9-10H2,1H3.
What are the key properties of 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 322.41 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 892104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).