N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide

C14H15N3O2 — CID 57064900

IUPACN-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide
SMILESCC12CCc3cc(NC=O)ccc3C1=NNC(=O)C2
InChIInChI=1S/C14H15N3O2/c1-14-5-4-9-6-10(15-8-18)2-3-11(9)13(14)17-16-12(19)7-14/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyQJUVMQIVHZTYEO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.43
Rot. Bonds2

About N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide

N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide (PubChem CID 57064900) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide.

Molecular Properties

Compound NameN-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide
PubChem CID57064900
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide
SMILESCC12CCc3cc(NC=O)ccc3C1=NNC(=O)C2
InChIInChI=1S/C14H15N3O2/c1-14-5-4-9-6-10(15-8-18)2-3-11(9)13(14)17-16-12(19)7-14/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyQJUVMQIVHZTYEO-UHFFFAOYSA-N
XLogP1.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide 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-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide?
The IUPAC name of N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide (CID 57064900) is N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide.
What is the SMILES notation for N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide?
The canonical SMILES for N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide is CC12CCc3cc(NC=O)ccc3C1=NNC(=O)C2.
What is the InChIKey of N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide?
The InChIKey is QJUVMQIVHZTYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14-5-4-9-6-10(15-8-18)2-3-11(9)13(14)17-16-12(19)7-14/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide?
N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide has a molecular weight of 257.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a-methyl-3-oxo-2,4,5,6-tetrahydrobenzo[h]cinnolin-8-yl)formamide is sourced from PubChem (CID 57064900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).