3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one

C20H19ClN4O — CID 68659051

IUPAC3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one
SMILESCN1CCN(c2ccccc2Cl)c2cc(-c3ccc(=O)[nH]n3)ccc2C1
InChIInChI=1S/C20H19ClN4O/c1-24-10-11-25(18-5-3-2-4-16(18)21)19-12-14(6-7-15(19)13-24)17-8-9-20(26)23-22-17/h2-9,12H,10-11,13H2,1H3,(H,23,26)
InChIKeyMAGJETQQYHSADQ-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.67
Rot. Bonds2

About 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one

3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one (PubChem CID 68659051) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one
PubChem CID68659051
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one
SMILESCN1CCN(c2ccccc2Cl)c2cc(-c3ccc(=O)[nH]n3)ccc2C1
InChIInChI=1S/C20H19ClN4O/c1-24-10-11-25(18-5-3-2-4-16(18)21)19-12-14(6-7-15(19)13-24)17-8-9-20(26)23-22-17/h2-9,12H,10-11,13H2,1H3,(H,23,26)
InChIKeyMAGJETQQYHSADQ-UHFFFAOYSA-N
XLogP3.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

3-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1H-pyridazin-6-one
CID 50763983
3-[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-1H-pyridazin-6-one
CID 53023955
3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
CID 58254596
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
CID 23611829
3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one
CID 54325310
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-ethylphenyl]-1H-pyridazin-6-one
CID 20930607
1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine
CID 68561197
[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3403383
(4-amino-2-chlorophenyl)-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone
CID 19607927
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
CID 53134895

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one (CID 68659051) is 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one is CN1CCN(c2ccccc2Cl)c2cc(-c3ccc(=O)[nH]n3)ccc2C1.
What is the InChIKey of 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one?
The InChIKey is MAGJETQQYHSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-24-10-11-25(18-5-3-2-4-16(18)21)19-12-14(6-7-15(19)13-24)17-8-9-20(26)23-22-17/h2-9,12H,10-11,13H2,1H3,(H,23,26).
What are the key properties of 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one?
3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one has a molecular weight of 366.85 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 68659051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).