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

C18H24N6O — CID 169224110

IUPAC3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
SMILESCCCC1CCC2=C(C1)C1(C#N)C(=O)N=C(N)C1(C#N)CN2N(C)C
InChIInChI=1S/C18H24N6O/c1-4-5-12-6-7-14-13(8-12)18(10-20)16(25)22-15(21)17(18,9-19)11-24(14)23(2)3/h12H,4-8,11H2,1-3H3,(H2,21,22,25)
InChIKeyMWYPBYZUIYOQBD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.55
Rot. Bonds3

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

3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile (PubChem CID 169224110) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
PubChem CID169224110
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
SMILESCCCC1CCC2=C(C1)C1(C#N)C(=O)N=C(N)C1(C#N)CN2N(C)C
InChIInChI=1S/C18H24N6O/c1-4-5-12-6-7-14-13(8-12)18(10-20)16(25)22-15(21)17(18,9-19)11-24(14)23(2)3/h12H,4-8,11H2,1-3H3,(H2,21,22,25)
InChIKeyMWYPBYZUIYOQBD-UHFFFAOYSA-N
XLogP1.55
TPSA109.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.55
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-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
The IUPAC name of 3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile (CID 169224110) is 3-amino-5-(dimethylamino)-1-oxo-8-propyl-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-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
The canonical SMILES for 3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile is CCCC1CCC2=C(C1)C1(C#N)C(=O)N=C(N)C1(C#N)CN2N(C)C.
What is the InChIKey of 3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
The InChIKey is MWYPBYZUIYOQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-4-5-12-6-7-14-13(8-12)18(10-20)16(25)22-15(21)17(18,9-19)11-24(14)23(2)3/h12H,4-8,11H2,1-3H3,(H2,21,22,25).
What are the key properties of 3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile?
3-amino-5-(dimethylamino)-1-oxo-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile has a molecular weight of 340.43 g/mol, XLogP of 1.55, 3 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-8-propyl-6,7,8,9-tetrahydro-4H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile is sourced from PubChem (CID 169224110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).