4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C17H16N4O3 — CID 169331189

IUPAC4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1CCc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)ccc2N1
InChIInChI=1S/C17H16N4O3/c1-8-2-3-9-6-10(4-5-12(9)19-8)21-13(22)7-11-14(15(21)18)17(24)20-16(11)23/h4-8,19H,2-3,18H2,1H3,(H,20,23,24)
InChIKeyXTXUXDUBLRCZQA-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.05
Rot. Bonds1

About 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169331189) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169331189
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1CCc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)ccc2N1
InChIInChI=1S/C17H16N4O3/c1-8-2-3-9-6-10(4-5-12(9)19-8)21-13(22)7-11-14(15(21)18)17(24)20-16(11)23/h4-8,19H,2-3,18H2,1H3,(H,20,23,24)
InChIKeyXTXUXDUBLRCZQA-UHFFFAOYSA-N
XLogP1.05
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169331189) is 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is CC1CCc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)ccc2N1.
What is the InChIKey of 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is XTXUXDUBLRCZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-8-2-3-9-6-10(4-5-12(9)19-8)21-13(22)7-11-14(15(21)18)17(24)20-16(11)23/h4-8,19H,2-3,18H2,1H3,(H,20,23,24).
What are the key properties of 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 324.34 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169331189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).