4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

C11H11N3O2 — CID 612492

IUPAC4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESNc1nc2c(c3c1C(=O)NC3=O)CCCC2
InChIInChI=1S/C11H11N3O2/c12-9-8-7(10(15)14-11(8)16)5-3-1-2-4-6(5)13-9/h1-4H2,(H2,12,13)(H,14,15,16)
InChIKeyNJDFRZNEOIGSEJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.43
Rot. Bonds

About 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 612492) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID612492
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESNc1nc2c(c3c1C(=O)NC3=O)CCCC2
InChIInChI=1S/C11H11N3O2/c12-9-8-7(10(15)14-11(8)16)5-3-1-2-4-6(5)13-9/h1-4H2,(H2,12,13)(H,14,15,16)
InChIKeyNJDFRZNEOIGSEJ-UHFFFAOYSA-N
XLogP0.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione
CID 2726359
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride
CID 45108854
4-Amino-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 289765
4-Amino-6-methyl-1H-pyrrolo(3,4-c)pyridine-1,3(2H)-dione
CID 600802
4-Amino-6,7-dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 605645
5,6-Dimethyl-2-diethylaminopyridine-3,4-dicarboxyimide
CID 612802
1H-Pyrrolo[3,4-C]pyridine-1,3(2H)-dione, 4-amino-6-methyl-7-propyl-
CID 686365
4-amino-2-methyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 686678
2-Amino-3,5,6,7,8,9-hexahydro-4H-pyrimido(4,5-b)indol-4-one
CID 135741885
1,2,3,4,6,7,8,9-Octahydropyrimido[4,5-b]quinoline-2,4-dione
CID 13496018
1,6,7,8-Tetrahydro-5h-pyrazolo-[3,4-b]quinolinone
CID 129875154

Frequently Asked Questions

What is the IUPAC name of 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (CID 612492) is 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is Nc1nc2c(c3c1C(=O)NC3=O)CCCC2.
What is the InChIKey of 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is NJDFRZNEOIGSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-9-8-7(10(15)14-11(8)16)5-3-1-2-4-6(5)13-9/h1-4H2,(H2,12,13)(H,14,15,16).
What are the key properties of 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 217.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 612492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).