(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone

C16H18N4O — CID 104669275

IUPAC(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccc(N)cc3C2)c(C)nn1
InChIInChI=1S/C16H18N4O/c1-10-7-15(11(2)19-18-10)16(21)20-6-5-12-3-4-14(17)8-13(12)9-20/h3-4,7-8H,5-6,9,17H2,1-2H3
InChIKeyLXQXUOZGPJZCQQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.87
Rot. Bonds1

About (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone

(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 104669275) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID104669275
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccc(N)cc3C2)c(C)nn1
InChIInChI=1S/C16H18N4O/c1-10-7-15(11(2)19-18-10)16(21)20-6-5-12-3-4-14(17)8-13(12)9-20/h3-4,7-8H,5-6,9,17H2,1-2H3
InChIKeyLXQXUOZGPJZCQQ-UHFFFAOYSA-N
XLogP1.87
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone (CID 104669275) is (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)N2CCc3ccc(N)cc3C2)c(C)nn1.
What is the InChIKey of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is LXQXUOZGPJZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-7-15(11(2)19-18-10)16(21)20-6-5-12-3-4-14(17)8-13(12)9-20/h3-4,7-8H,5-6,9,17H2,1-2H3.
What are the key properties of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone?
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 104669275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).