4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C16H14N4O4 — CID 169330230

IUPAC4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccc(O)c3c1CCCN3)C(=O)NC2=O
InChIInChI=1S/C16H14N4O4/c17-14-12-8(15(23)19-16(12)24)6-11(22)20(14)9-3-4-10(21)13-7(9)2-1-5-18-13/h3-4,6,18,21H,1-2,5,17H2,(H,19,23,24)
InChIKeyFIHOVOVYNJFNIO-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.37
Rot. Bonds1

About 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169330230) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169330230
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccc(O)c3c1CCCN3)C(=O)NC2=O
InChIInChI=1S/C16H14N4O4/c17-14-12-8(15(23)19-16(12)24)6-11(22)20(14)9-3-4-10(21)13-7(9)2-1-5-18-13/h3-4,6,18,21H,1-2,5,17H2,(H,19,23,24)
InChIKeyFIHOVOVYNJFNIO-UHFFFAOYSA-N
XLogP0.37
TPSA126.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(4-hydroxy-2,3-dimethylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329010
4-amino-5-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331296
4-amino-5-(2-fluoro-5-hydroxy-4-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330634
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-hydroxybenzoic acid
CID 169326792
5-[5-(1-adamantyl)-2-methylphenyl]-4-aminopyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330653
4-amino-5-(2,3,4-trifluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326725
4-amino-5-(4-hydroxy-2-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331593
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-3-fluorobenzoic acid
CID 169326984
4-amino-5-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328333
[5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylphenyl]boronic acid
CID 169330068
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-5-chlorobenzamide
CID 169331570
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-6-fluoro-2-hydroxybenzoic acid
CID 169330804

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169330230) is 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1ccc(O)c3c1CCCN3)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is FIHOVOVYNJFNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c17-14-12-8(15(23)19-16(12)24)6-11(22)20(14)9-3-4-10(21)13-7(9)2-1-5-18-13/h3-4,6,18,21H,1-2,5,17H2,(H,19,23,24).
What are the key properties of 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 326.31 g/mol, XLogP of 0.37, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(8-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169330230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).