(8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione

C15H19N3O2 — CID 51802115

IUPAC(8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione
SMILESCC(C)(C)[C@@H]1CCc2[nH]c(=O)c3c(c2C1)C(=O)N=C3N
InChIInChI=1S/C15H19N3O2/c1-15(2,3)7-4-5-9-8(6-7)10-11(14(20)17-9)12(16)18-13(10)19/h7H,4-6H2,1-3H3,(H,17,20)(H2,16,18,19)/t7-/m1/s1
InChIKeyNQIMVISZHCFXKG-SSDOTTSWSA-N
MW273.34 g/mol
LogP1.38
Rot. Bonds

About (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione

(8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione (PubChem CID 51802115) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione.

Molecular Properties

Compound Name(8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione
PubChem CID51802115
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione
SMILESCC(C)(C)[C@@H]1CCc2[nH]c(=O)c3c(c2C1)C(=O)N=C3N
InChIInChI=1S/C15H19N3O2/c1-15(2,3)7-4-5-9-8(6-7)10-11(14(20)17-9)12(16)18-13(10)19/h7H,4-6H2,1-3H3,(H,17,20)(H2,16,18,19)/t7-/m1/s1
InChIKeyNQIMVISZHCFXKG-SSDOTTSWSA-N
XLogP1.38
TPSA88.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione?
The IUPAC name of (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione (CID 51802115) is (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione.
What is the SMILES notation for (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione?
The canonical SMILES for (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione is CC(C)(C)[C@@H]1CCc2[nH]c(=O)c3c(c2C1)C(=O)N=C3N.
What is the InChIKey of (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione?
The InChIKey is NQIMVISZHCFXKG-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)7-4-5-9-8(6-7)10-11(14(20)17-9)12(16)18-13(10)19/h7H,4-6H2,1-3H3,(H,17,20)(H2,16,18,19)/t7-/m1/s1.
What are the key properties of (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione?
(8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-amino-8-tert-butyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,4-c]quinoline-1,4-dione is sourced from PubChem (CID 51802115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).