3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone

C15H16N4O — CID 62248838

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H16N4O/c16-18-14-7-3-6-13(17-14)15(20)19-9-8-11-4-1-2-5-12(11)10-19/h1-7H,8-10,16H2,(H,17,18)
InChIKeyRAVTXOFELIHTDV-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone (PubChem CID 62248838) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
PubChem CID62248838
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H16N4O/c16-18-14-7-3-6-13(17-14)15(20)19-9-8-11-4-1-2-5-12(11)10-19/h1-7H,8-10,16H2,(H,17,18)
InChIKeyRAVTXOFELIHTDV-UHFFFAOYSA-N
XLogP1.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
3,4-dihydro-1H-isoquinolin-2-yl-[6-(ethylamino)-2-pyridinyl]methanone
CID 62238754
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62248839
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 62232700
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109098517
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109097816
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109098513

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone (CID 62248838) is 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone is NNc1cccc(C(=O)N2CCc3ccccc3C2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is RAVTXOFELIHTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-18-14-7-3-6-13(17-14)15(20)19-9-8-11-4-1-2-5-12(11)10-19/h1-7H,8-10,16H2,(H,17,18).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 268.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 62248838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).