4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one

C20H16Cl3N3O2 — CID 95345237

IUPAC4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(N2CCO[C@H](c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C20H16Cl3N3O2/c21-15-10-14(26-20(27)19(23)16(22)11-24-26)6-7-17(15)25-8-9-28-18(12-25)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,12H2/t18-/m0/s1
InChIKeyQJKGMEVFTUFXCG-SFHVURJKSA-N
MW436.73 g/mol
LogP4.77
Rot. Bonds3

About 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one (PubChem CID 95345237) has the molecular formula C20H16Cl3N3O2 and a molecular weight of 436.73 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one
PubChem CID95345237
Molecular FormulaC20H16Cl3N3O2
Molecular Weight436.73 g/mol
Exact Mass435.03
IUPAC Name4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(N2CCO[C@H](c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C20H16Cl3N3O2/c21-15-10-14(26-20(27)19(23)16(22)11-24-26)6-7-17(15)25-8-9-28-18(12-25)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,12H2/t18-/m0/s1
InChIKeyQJKGMEVFTUFXCG-SFHVURJKSA-N
XLogP4.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 36726677
4,5-dichloro-2-[3-chloro-4-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]pyridazin-3-one
CID 133474480
2-[4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-chlorophenyl]-4,5-dichloropyridazin-3-one
CID 133322993
4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 133347329
4,5-dichloro-2-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]pyridazin-3-one
CID 47983009
4,5-dichloro-2-[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]pyridazin-3-one
CID 133317815
4,5-dichloro-2-[3-chloro-4-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]phenyl]pyridazin-3-one
CID 55828998
4,5-dichloro-2-[3-chloro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)phenyl]pyridazin-3-one
CID 126806694
N-[[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]methyl]acetamide
CID 133274900
4-chloro-5-[2-(2-methylphenyl)morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133354112
N-[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]butanamide
CID 133354814
2-[4-(4-but-3-ynylpiperazin-1-yl)-3-chlorophenyl]-4,5-dichloropyridazin-3-one
CID 133453709

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one (CID 95345237) is 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(N2CCO[C@H](c3ccccc3)C2)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one?
The InChIKey is QJKGMEVFTUFXCG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16Cl3N3O2/c21-15-10-14(26-20(27)19(23)16(22)11-24-26)6-7-17(15)25-8-9-28-18(12-25)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,12H2/t18-/m0/s1.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one has a molecular weight of 436.73 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one is sourced from PubChem (CID 95345237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).