2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one

C24H24FN3O4 — CID 71947987

IUPAC2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)Cn1nc(-c3ccccc3F)ccc1=O)CC2
InChIInChI=1S/C24H24FN3O4/c1-15-18-13-22(32-3)21(31-2)12-16(18)10-11-27(15)24(30)14-28-23(29)9-8-20(26-28)17-6-4-5-7-19(17)25/h4-9,12-13,15H,10-11,14H2,1-3H3
InChIKeyLDGKMITWFBSDHH-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one

2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one (PubChem CID 71947987) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one
PubChem CID71947987
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)Cn1nc(-c3ccccc3F)ccc1=O)CC2
InChIInChI=1S/C24H24FN3O4/c1-15-18-13-22(32-3)21(31-2)12-16(18)10-11-27(15)24(30)14-28-23(29)9-8-20(26-28)17-6-4-5-7-19(17)25/h4-9,12-13,15H,10-11,14H2,1-3H3
InChIKeyLDGKMITWFBSDHH-UHFFFAOYSA-N
XLogP3.21
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one with MolForge

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Related Compounds

2-[(2R)-1-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7679706
1-[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51054227
(1R)-N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 906733
6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one
CID 122278526
(1S)-6,7-dimethoxy-1-methyl-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 14504439
1-(7-methoxy-1-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 563942
2-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 121050754
[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 8016137
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51049092
(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(2-fluorophenyl)methyl]quinolin-3-yl]methanone
CID 70814878
(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone
CID 110289323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one (CID 71947987) is 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one is COc1cc2c(cc1OC)C(C)N(C(=O)Cn1nc(-c3ccccc3F)ccc1=O)CC2.
What is the InChIKey of 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one?
The InChIKey is LDGKMITWFBSDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-15-18-13-22(32-3)21(31-2)12-16(18)10-11-27(15)24(30)14-28-23(29)9-8-20(26-28)17-6-4-5-7-19(17)25/h4-9,12-13,15H,10-11,14H2,1-3H3.
What are the key properties of 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one?
2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one has a molecular weight of 437.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(2-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 71947987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).