[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone

C18H17ClN2O — CID 1486796

IUPAC[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C18H17ClN2O/c1-13-4-6-15(7-5-13)18(22)21-12-2-3-17(20-21)14-8-10-16(19)11-9-14/h4-11H,2-3,12H2,1H3
InChIKeyKTEOADIHRLJFPR-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.29
Rot. Bonds2

About [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone

[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone (PubChem CID 1486796) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone
PubChem CID1486796
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C18H17ClN2O/c1-13-4-6-15(7-5-13)18(22)21-12-2-3-17(20-21)14-8-10-16(19)11-9-14/h4-11H,2-3,12H2,1H3
InChIKeyKTEOADIHRLJFPR-UHFFFAOYSA-N
XLogP4.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azelastine
CID 2267
Azelastine Hydrochloride
CID 54360
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
Bibx-79
CID 501396
1(2H)-Phthalazinone, 4-(p-chlorobenzyl)-2-(2-(dimethylamino)ethyl)-, hydrochloride
CID 203096
4-[(4-Chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
CID 52937223
4-(4-chlorobenzyl)-2-methylphthalazin-1(2H)-one
CID 11522042
1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
(S)-Azelastine
CID 12831281
Desmethylazelastine
CID 162558
4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
CID 15959119
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 15254720

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone (CID 1486796) is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is KTEOADIHRLJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-13-4-6-15(7-5-13)18(22)21-12-2-3-17(20-21)14-8-10-16(19)11-9-14/h4-11H,2-3,12H2,1H3.
What are the key properties of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 312.80 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 1486796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).