4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one

C20H18ClN3O2 — CID 133450542

IUPAC4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one
SMILESCOc1cccc2c1CCN(c1cnn(-c3ccccc3)c(=O)c1Cl)C2
InChIInChI=1S/C20H18ClN3O2/c1-26-18-9-5-6-14-13-23(11-10-16(14)18)17-12-22-24(20(25)19(17)21)15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3
InChIKeyBPLNPHXEIKFUNU-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.46
Rot. Bonds3

About 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one

4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one (PubChem CID 133450542) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one
PubChem CID133450542
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one
SMILESCOc1cccc2c1CCN(c1cnn(-c3ccccc3)c(=O)c1Cl)C2
InChIInChI=1S/C20H18ClN3O2/c1-26-18-9-5-6-14-13-23(11-10-16(14)18)17-12-22-24(20(25)19(17)21)15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3
InChIKeyBPLNPHXEIKFUNU-UHFFFAOYSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one
CID 133450517
4-[5-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]benzoic acid
CID 45294211
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one
CID 133361772
4-chloro-5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133313381
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
4-chloro-5-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772240
5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 146218622
4-chloro-5-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772255
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762
4-chloro-5-[4-(2,2-diethoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 75457249
4-chloro-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 17468198

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one (CID 133450542) is 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one is COc1cccc2c1CCN(c1cnn(-c3ccccc3)c(=O)c1Cl)C2.
What is the InChIKey of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one?
The InChIKey is BPLNPHXEIKFUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-18-9-5-6-14-13-23(11-10-16(14)18)17-12-22-24(20(25)19(17)21)15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one?
4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one has a molecular weight of 367.84 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 133450542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).