2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one

C18H21N3O2 — CID 7659649

IUPAC2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCCC1
InChIInChI=1S/C18H21N3O2/c22-17-11-10-16(15-8-4-3-5-9-15)19-21(17)14-18(23)20-12-6-1-2-7-13-20/h3-5,8-11H,1-2,6-7,12-14H2
InChIKeyGQYMXGLTZPMOEF-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.31
Rot. Bonds3

About 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one

2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one (PubChem CID 7659649) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
PubChem CID7659649
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCCC1
InChIInChI=1S/C18H21N3O2/c22-17-11-10-16(15-8-4-3-5-9-15)19-21(17)14-18(23)20-12-6-1-2-7-13-20/h3-5,8-11H,1-2,6-7,12-14H2
InChIKeyGQYMXGLTZPMOEF-UHFFFAOYSA-N
XLogP2.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7659757
N,N-diethyl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-1,4-diazepan-1-yl]acetamide
CID 55831073
6-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7671966
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
(1S,6R,7R)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254766
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 94182934
2-[2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 52513916

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one (CID 7659649) is 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one is O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCCC1.
What is the InChIKey of 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
The InChIKey is GQYMXGLTZPMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-11-10-16(15-8-4-3-5-9-15)19-21(17)14-18(23)20-12-6-1-2-7-13-20/h3-5,8-11H,1-2,6-7,12-14H2.
What are the key properties of 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one?
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one has a molecular weight of 311.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 7659649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).