6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one

C20H15ClN2O4 — CID 51043642

IUPAC6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2Cl)ccc1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H15ClN2O4/c21-15-4-2-1-3-14(15)16-6-8-20(25)23(22-16)12-17(24)13-5-7-18-19(11-13)27-10-9-26-18/h1-8,11H,9-10,12H2
InChIKeyVYNNLRFJYPKXIC-UHFFFAOYSA-N
MW382.80 g/mol
LogP3.22
Rot. Bonds4

About 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one

6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 51043642) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID51043642
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccccc2Cl)ccc1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H15ClN2O4/c21-15-4-2-1-3-14(15)16-6-8-20(25)23(22-16)12-17(24)13-5-7-18-19(11-13)27-10-9-26-18/h1-8,11H,9-10,12H2
InChIKeyVYNNLRFJYPKXIC-UHFFFAOYSA-N
XLogP3.22
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one with MolForge

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Related Compounds

4-[[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]methyl]benzoic acid
CID 53370001
3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3833357
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 23612570
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2540215
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3224491
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;hydrochloride
CID 171668811
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55824767
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757793
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804354
(3R)-1-[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylic acid
CID 95389667
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-imino-1H-isoindol-2-yl)ethanone bromide
CID 21203724
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704635

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one (CID 51043642) is 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is VYNNLRFJYPKXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-15-4-2-1-3-14(15)16-6-8-20(25)23(22-16)12-17(24)13-5-7-18-19(11-13)27-10-9-26-18/h1-8,11H,9-10,12H2.
What are the key properties of 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one?
6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 382.80 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 51043642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).