(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone

C14H14N4O — CID 114522694

IUPAC(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
SMILESNc1cccc2c1CN(C(=O)c1ccnnc1)CC2
InChIInChI=1S/C14H14N4O/c15-13-3-1-2-10-5-7-18(9-12(10)13)14(19)11-4-6-16-17-8-11/h1-4,6,8H,5,7,9,15H2
InChIKeyQZHGHLZTDAXBKR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.26
Rot. Bonds1

About (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone

(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone (PubChem CID 114522694) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
PubChem CID114522694
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
SMILESNc1cccc2c1CN(C(=O)c1ccnnc1)CC2
InChIInChI=1S/C14H14N4O/c15-13-3-1-2-10-5-7-18(9-12(10)13)14(19)11-4-6-16-17-8-11/h1-4,6,8H,5,7,9,15H2
InChIKeyQZHGHLZTDAXBKR-UHFFFAOYSA-N
XLogP1.26
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 114523312
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone
CID 114523309
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrazol-3-yl)methanone
CID 103121100
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-hydroxyphenyl)methanone
CID 114523200
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone
CID 114523302
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 114522729
3-(8-amino-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 114523287
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1,5-dimethylpyrrol-2-yl)methanone
CID 114522696
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-5-fluorophenyl)methanone
CID 114523295
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 114523396
ethyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 114523491
4-(8-amino-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-dihydroimidazol-2-one
CID 114522938

Frequently Asked Questions

What is the IUPAC name of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone (CID 114522694) is (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone is Nc1cccc2c1CN(C(=O)c1ccnnc1)CC2.
What is the InChIKey of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone?
The InChIKey is QZHGHLZTDAXBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13-3-1-2-10-5-7-18(9-12(10)13)14(19)11-4-6-16-17-8-11/h1-4,6,8H,5,7,9,15H2.
What are the key properties of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone?
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone has a molecular weight of 254.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 114522694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).