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

C15H16N4O — CID 62248301

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
SMILESNNc1ncccc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N4O/c16-18-14-13(6-3-8-17-14)15(20)19-9-7-11-4-1-2-5-12(11)10-19/h1-6,8H,7,9-10,16H2,(H,17,18)
InChIKeyWSXDIWYTPHPNJJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone (PubChem CID 62248301) 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-(2-hydrazinyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
PubChem CID62248301
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
SMILESNNc1ncccc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N4O/c16-18-14-13(6-3-8-17-14)15(20)19-9-7-11-4-1-2-5-12(11)10-19/h1-6,8H,7,9-10,16H2,(H,17,18)
InChIKeyWSXDIWYTPHPNJJ-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-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
3,4-dihydro-1H-isoquinolin-2-yl-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384411
1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388109
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62930011
(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62236169
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
(2-hydrazinyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249880
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone (CID 62248301) is 3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone is NNc1ncccc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone?
The InChIKey is WSXDIWYTPHPNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-18-14-13(6-3-8-17-14)15(20)19-9-7-11-4-1-2-5-12(11)10-19/h1-6,8H,7,9-10,16H2,(H,17,18).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-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-(2-hydrazinyl-3-pyridinyl)methanone is sourced from PubChem (CID 62248301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).