3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile

C15H18N6O — CID 169224114

IUPAC3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
SMILESCN(C)N1CC2(C#N)C(N)=NC(=O)C2(C#N)C2=C1CCCC2
InChIInChI=1S/C15H18N6O/c1-20(2)21-9-14(7-16)12(18)19-13(22)15(14,8-17)10-5-3-4-6-11(10)21/h3-6,9H2,1-2H3,(H2,18,19,22)
InChIKeyJRXGHORSWVMPLA-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.52
Rot. Bonds1

About 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile

3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile (PubChem CID 169224114) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
PubChem CID169224114
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
SMILESCN(C)N1CC2(C#N)C(N)=NC(=O)C2(C#N)C2=C1CCCC2
InChIInChI=1S/C15H18N6O/c1-20(2)21-9-14(7-16)12(18)19-13(22)15(14,8-17)10-5-3-4-6-11(10)21/h3-6,9H2,1-2H3,(H2,18,19,22)
InChIKeyJRXGHORSWVMPLA-UHFFFAOYSA-N
XLogP0.52
TPSA109.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
The IUPAC name of 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile (CID 169224114) is 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
The canonical SMILES for 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile is CN(C)N1CC2(C#N)C(N)=NC(=O)C2(C#N)C2=C1CCCC2.
What is the InChIKey of 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
The InChIKey is JRXGHORSWVMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-20(2)21-9-14(7-16)12(18)19-13(22)15(14,8-17)10-5-3-4-6-11(10)21/h3-6,9H2,1-2H3,(H2,18,19,22).
What are the key properties of 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile has a molecular weight of 298.35 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dimethylamino)-1-oxo-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile is sourced from PubChem (CID 169224114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).