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

C18H21N3O4 — CID 121066932

IUPAC6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-4-21-17(22)6-5-14(19-21)18(23)20-8-7-12-9-15(24-2)16(25-3)10-13(12)11-20/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKeyIGEGPAKMOLVSHA-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.48
Rot. Bonds4

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

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one (PubChem CID 121066932) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one
PubChem CID121066932
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-4-21-17(22)6-5-14(19-21)18(23)20-8-7-12-9-15(24-2)16(25-3)10-13(12)11-20/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKeyIGEGPAKMOLVSHA-UHFFFAOYSA-N
XLogP1.48
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.48
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-propylpyridazin-3-one
CID 38209008
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)-pyridazin-3-ylmethanone
CID 110855244
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801630
(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
(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)-(3-ethoxy-4-methoxyphenyl)methanone
CID 38409242
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 52897586
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-(3-methylbutylamino)pyridazin-3-yl]methanone
CID 109124705

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one (CID 121066932) is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one is CCn1nc(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-ethylpyridazin-3-one?
The InChIKey is IGEGPAKMOLVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-21-17(22)6-5-14(19-21)18(23)20-8-7-12-9-15(24-2)16(25-3)10-13(12)11-20/h5-6,9-10H,4,7-8,11H2,1-3H3.
What are the key properties of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one?
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one has a molecular weight of 343.38 g/mol, XLogP of 1.48, 4 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-ethylpyridazin-3-one is sourced from PubChem (CID 121066932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).