N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide

C11H10N2O3 — CID 155579260

IUPACN-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide
SMILESCNC(=O)c1cccc2c1C(=O)NC(=O)C2
InChIInChI=1S/C11H10N2O3/c1-12-10(15)7-4-2-3-6-5-8(14)13-11(16)9(6)7/h2-4H,5H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyWYLBPKQIIRSOCV-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.14
Rot. Bonds1

About N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide

N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide (PubChem CID 155579260) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide
PubChem CID155579260
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide
SMILESCNC(=O)c1cccc2c1C(=O)NC(=O)C2
InChIInChI=1S/C11H10N2O3/c1-12-10(15)7-4-2-3-6-5-8(14)13-11(16)9(6)7/h2-4H,5H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyWYLBPKQIIRSOCV-UHFFFAOYSA-N
XLogP-0.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide?
The IUPAC name of N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide (CID 155579260) is N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide.
What is the SMILES notation for N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide?
The canonical SMILES for N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide is CNC(=O)c1cccc2c1C(=O)NC(=O)C2.
What is the InChIKey of N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide?
The InChIKey is WYLBPKQIIRSOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-12-10(15)7-4-2-3-6-5-8(14)13-11(16)9(6)7/h2-4H,5H2,1H3,(H,12,15)(H,13,14,16).
What are the key properties of N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide?
N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide has a molecular weight of 218.21 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide is sourced from PubChem (CID 155579260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).