1H-pyrrolo[3,4-g]quinoline-2,6,8-trione

C11H6N2O3 — CID 141090752

IUPAC1H-pyrrolo[3,4-g]quinoline-2,6,8-trione
SMILESO=C1NC(=O)c2cc3[nH]c(=O)ccc3cc21
InChIInChI=1S/C11H6N2O3/c14-9-2-1-5-3-6-7(4-8(5)12-9)11(16)13-10(6)15/h1-4H,(H,12,14)(H,13,15,16)
InChIKeyAFPBKICTWPQPKC-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.41
Rot. Bonds

About 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione

1H-pyrrolo[3,4-g]quinoline-2,6,8-trione (PubChem CID 141090752) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione.

Molecular Properties

Compound Name1H-pyrrolo[3,4-g]quinoline-2,6,8-trione
PubChem CID141090752
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Name1H-pyrrolo[3,4-g]quinoline-2,6,8-trione
SMILESO=C1NC(=O)c2cc3[nH]c(=O)ccc3cc21
InChIInChI=1S/C11H6N2O3/c14-9-2-1-5-3-6-7(4-8(5)12-9)11(16)13-10(6)15/h1-4H,(H,12,14)(H,13,15,16)
InChIKeyAFPBKICTWPQPKC-UHFFFAOYSA-N
XLogP0.41
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-benzo[g]quinolin-2-one
CID 19597016
7-fluoro-1H-quinolin-2-one
CID 19067575
6-chloro-1H-1,7-naphthyridin-2-one
CID 15592373
6-(4-methoxyphenyl)-7-methyl-1H-quinolin-2-one
CID 169119719
2-oxo-1H-quinoline-6-carbaldehyde
CID 11816137
7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one
CID 129274406
7-(dimethylamino)-6-iodo-1H-quinolin-2-one
CID 66900075
neodymium;1H-quinolin-2-one
CID 175424246
CID 172719311
CID 172719311
6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 172686181
6-(4-chlorophenyl)-1H-quinolin-2-one
CID 67364248
hydrazine;1H-quinolin-2-one
CID 157180038

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione?
The IUPAC name of 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione (CID 141090752) is 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione.
What is the SMILES notation for 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione?
The canonical SMILES for 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione is O=C1NC(=O)c2cc3[nH]c(=O)ccc3cc21.
What is the InChIKey of 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione?
The InChIKey is AFPBKICTWPQPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c14-9-2-1-5-3-6-7(4-8(5)12-9)11(16)13-10(6)15/h1-4H,(H,12,14)(H,13,15,16).
What are the key properties of 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione?
1H-pyrrolo[3,4-g]quinoline-2,6,8-trione has a molecular weight of 214.18 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,4-g]quinoline-2,6,8-trione is sourced from PubChem (CID 141090752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).