6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one

C15H15N3O2 — CID 42443203

IUPAC6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCc3ccccc3C2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-17-14(19)7-6-13(16-17)15(20)18-9-8-11-4-2-3-5-12(11)10-18/h2-7H,8-10H2,1H3
InChIKeyJCNRMVJFRFZLCI-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.98
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one

6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one (PubChem CID 42443203) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
PubChem CID42443203
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCc3ccccc3C2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-17-14(19)7-6-13(16-17)15(20)18-9-8-11-4-2-3-5-12(11)10-18/h2-7H,8-10H2,1H3
InChIKeyJCNRMVJFRFZLCI-UHFFFAOYSA-N
XLogP0.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 36674945
6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
CID 121190992
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
2-methyl-6-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridazin-3-one
CID 119105754
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one (CID 42443203) is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCc3ccccc3C2)ccc1=O.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is JCNRMVJFRFZLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-17-14(19)7-6-13(16-17)15(20)18-9-8-11-4-2-3-5-12(11)10-18/h2-7H,8-10H2,1H3.
What are the key properties of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one?
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 269.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 42443203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).