(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone

C18H21N3O2 — CID 136534984

IUPAC(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone
SMILESCOc1ccc2c(c1)CC(C)N(C(=O)c1cnnc(C)c1)C2C
InChIInChI=1S/C18H21N3O2/c1-11-7-15(10-19-20-11)18(22)21-12(2)8-14-9-16(23-4)5-6-17(14)13(21)3/h5-7,9-10,12-13H,8H2,1-4H3
InChIKeySRYVKXXSOPSOSP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.94
Rot. Bonds2

About (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone

(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone (PubChem CID 136534984) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone
PubChem CID136534984
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone
SMILESCOc1ccc2c(c1)CC(C)N(C(=O)c1cnnc(C)c1)C2C
InChIInChI=1S/C18H21N3O2/c1-11-7-15(10-19-20-11)18(22)21-12(2)8-14-9-16(23-4)5-6-17(14)13(21)3/h5-7,9-10,12-13H,8H2,1-4H3
InChIKeySRYVKXXSOPSOSP-UHFFFAOYSA-N
XLogP2.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone?
The IUPAC name of (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone (CID 136534984) is (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone is COc1ccc2c(c1)CC(C)N(C(=O)c1cnnc(C)c1)C2C.
What is the InChIKey of (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone?
The InChIKey is SRYVKXXSOPSOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-7-15(10-19-20-11)18(22)21-12(2)8-14-9-16(23-4)5-6-17(14)13(21)3/h5-7,9-10,12-13H,8H2,1-4H3.
What are the key properties of (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone?
(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 136534984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).