4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C14H10ClN3O4 — CID 169327356

IUPAC4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCOc1cc(Cl)ccc1-n1c(N)c2c(cc1=O)C(=O)NC2=O
InChIInChI=1S/C14H10ClN3O4/c1-22-9-4-6(15)2-3-8(9)18-10(19)5-7-11(12(18)16)14(21)17-13(7)20/h2-5H,16H2,1H3,(H,17,20,21)
InChIKeyDHUCPSAWUIRGEP-UHFFFAOYSA-N
MW319.70 g/mol
LogP0.97
Rot. Bonds2

About 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327356) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327356
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCOc1cc(Cl)ccc1-n1c(N)c2c(cc1=O)C(=O)NC2=O
InChIInChI=1S/C14H10ClN3O4/c1-22-9-4-6(15)2-3-8(9)18-10(19)5-7-11(12(18)16)14(21)17-13(7)20/h2-5H,16H2,1H3,(H,17,20,21)
InChIKeyDHUCPSAWUIRGEP-UHFFFAOYSA-N
XLogP0.97
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 50.97
H-Bond Donors ≤ 52
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-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327356) is 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is COc1cc(Cl)ccc1-n1c(N)c2c(cc1=O)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is DHUCPSAWUIRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c1-22-9-4-6(15)2-3-8(9)18-10(19)5-7-11(12(18)16)14(21)17-13(7)20/h2-5H,16H2,1H3,(H,17,20,21).
What are the key properties of 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 319.70 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).