4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one

C20H18ClN3O3 — CID 9113184

IUPAC4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccc3c(c2)OCCO3)cnn1-c1ccccc1
InChIInChI=1S/C20H18ClN3O3/c21-19-16(13-23-24(20(19)25)15-4-2-1-3-5-15)22-9-8-14-6-7-17-18(12-14)27-11-10-26-17/h1-7,12-13,22H,8-11H2
InChIKeyAXNUIDZLMRNAEJ-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.31
Rot. Bonds5

About 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one

4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one (PubChem CID 9113184) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one
PubChem CID9113184
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccc3c(c2)OCCO3)cnn1-c1ccccc1
InChIInChI=1S/C20H18ClN3O3/c21-19-16(13-23-24(20(19)25)15-4-2-1-3-5-15)22-9-8-14-6-7-17-18(12-14)27-11-10-26-17/h1-7,12-13,22H,8-11H2
InChIKeyAXNUIDZLMRNAEJ-UHFFFAOYSA-N
XLogP3.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 112839885
2-(1H-benzimidazol-2-yl)-4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pyridazin-3-one
CID 39963678
4-chloro-2-(4-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pyridazin-3-one
CID 133286941
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
3-chloro-1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzene-1,2-diamine
CID 104833960
4-chloro-5-[[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]-2-phenylpyridazin-3-one
CID 95068270
4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430645
5-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1H-pyrimidin-6-one
CID 136973683
4-chloro-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one (CID 9113184) is 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one is O=c1c(Cl)c(NCCc2ccc3c(c2)OCCO3)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one?
The InChIKey is AXNUIDZLMRNAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-19-16(13-23-24(20(19)25)15-4-2-1-3-5-15)22-9-8-14-6-7-17-18(12-14)27-11-10-26-17/h1-7,12-13,22H,8-11H2.
What are the key properties of 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one has a molecular weight of 383.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9113184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).