N-(3-oxo-2H-isoquinolin-6-yl)formamide

C10H8N2O2 — CID 168653620

IUPACN-(3-oxo-2H-isoquinolin-6-yl)formamide
SMILESO=CNc1ccc2c[nH]c(=O)cc2c1
InChIInChI=1S/C10H8N2O2/c13-6-12-9-2-1-7-5-11-10(14)4-8(7)3-9/h1-6H,(H,11,14)(H,12,13)
InChIKeySDMAFYWVMBLRDK-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.10
Rot. Bonds2

About N-(3-oxo-2H-isoquinolin-6-yl)formamide

N-(3-oxo-2H-isoquinolin-6-yl)formamide (PubChem CID 168653620) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is N-(3-oxo-2H-isoquinolin-6-yl)formamide.

Molecular Properties

Compound NameN-(3-oxo-2H-isoquinolin-6-yl)formamide
PubChem CID168653620
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC NameN-(3-oxo-2H-isoquinolin-6-yl)formamide
SMILESO=CNc1ccc2c[nH]c(=O)cc2c1
InChIInChI=1S/C10H8N2O2/c13-6-12-9-2-1-7-5-11-10(14)4-8(7)3-9/h1-6H,(H,11,14)(H,12,13)
InChIKeySDMAFYWVMBLRDK-UHFFFAOYSA-N
XLogP1.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-2H-isoquinolin-6-yl)formamide?
The IUPAC name of N-(3-oxo-2H-isoquinolin-6-yl)formamide (CID 168653620) is N-(3-oxo-2H-isoquinolin-6-yl)formamide.
What is the SMILES notation for N-(3-oxo-2H-isoquinolin-6-yl)formamide?
The canonical SMILES for N-(3-oxo-2H-isoquinolin-6-yl)formamide is O=CNc1ccc2c[nH]c(=O)cc2c1.
What is the InChIKey of N-(3-oxo-2H-isoquinolin-6-yl)formamide?
The InChIKey is SDMAFYWVMBLRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-6-12-9-2-1-7-5-11-10(14)4-8(7)3-9/h1-6H,(H,11,14)(H,12,13).
What are the key properties of N-(3-oxo-2H-isoquinolin-6-yl)formamide?
N-(3-oxo-2H-isoquinolin-6-yl)formamide has a molecular weight of 188.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-2H-isoquinolin-6-yl)formamide is sourced from PubChem (CID 168653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).