4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

C17H21N3O2 — CID 6425422

IUPAC4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESNc1nc2c(c3c1C(=O)N(C1CCCCC1)C3=O)CCCC2
InChIInChI=1S/C17H21N3O2/c18-15-14-13(11-8-4-5-9-12(11)19-15)16(21)20(17(14)22)10-6-2-1-3-7-10/h10H,1-9H2,(H2,18,19)
InChIKeyGVHLPAZMBCIKJR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.47
Rot. Bonds1

About 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 6425422) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID6425422
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESNc1nc2c(c3c1C(=O)N(C1CCCCC1)C3=O)CCCC2
InChIInChI=1S/C17H21N3O2/c18-15-14-13(11-8-4-5-9-12(11)19-15)16(21)20(17(14)22)10-6-2-1-3-7-10/h10H,1-9H2,(H2,18,19)
InChIKeyGVHLPAZMBCIKJR-UHFFFAOYSA-N
XLogP2.47
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (CID 6425422) is 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is Nc1nc2c(c3c1C(=O)N(C1CCCCC1)C3=O)CCCC2.
What is the InChIKey of 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is GVHLPAZMBCIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-15-14-13(11-8-4-5-9-12(11)19-15)16(21)20(17(14)22)10-6-2-1-3-7-10/h10H,1-9H2,(H2,18,19).
What are the key properties of 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 299.37 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 6425422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).