6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one

C19H23N3O4 — CID 38209008

IUPAC6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1=O
InChIInChI=1S/C19H23N3O4/c1-4-8-22-18(23)6-5-15(20-22)19(24)21-9-7-13-10-16(25-2)17(26-3)11-14(13)12-21/h5-6,10-11H,4,7-9,12H2,1-3H3
InChIKeyWPSBOPFISLQBBX-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.87
Rot. Bonds5

About 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one (PubChem CID 38209008) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one
PubChem CID38209008
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1=O
InChIInChI=1S/C19H23N3O4/c1-4-8-22-18(23)6-5-15(20-22)19(24)21-9-7-13-10-16(25-2)17(26-3)11-14(13)12-21/h5-6,10-11H,4,7-9,12H2,1-3H3
InChIKeyWPSBOPFISLQBBX-UHFFFAOYSA-N
XLogP1.87
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one
CID 121066932
2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one
CID 121067048
6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one
CID 122278526
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 110855217
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801630
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 36674945
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200585
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylphthalazin-1-one
CID 2457710

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one (CID 38209008) is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1=O.
What is the InChIKey of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one?
The InChIKey is WPSBOPFISLQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-8-22-18(23)6-5-15(20-22)19(24)21-9-7-13-10-16(25-2)17(26-3)11-14(13)12-21/h5-6,10-11H,4,7-9,12H2,1-3H3.
What are the key properties of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one?
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one has a molecular weight of 357.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 38209008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).