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

C16H17N3O — CID 62249019

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C16H17N3O/c17-18-15-7-5-13(6-8-15)16(20)19-10-9-12-3-1-2-4-14(12)11-19/h1-8,18H,9-11,17H2
InChIKeyUFQLOSXDQDCWKQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.17
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone (PubChem CID 62249019) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
PubChem CID62249019
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C16H17N3O/c17-18-15-7-5-13(6-8-15)16(20)19-10-9-12-3-1-2-4-14(12)11-19/h1-8,18H,9-11,17H2
InChIKeyUFQLOSXDQDCWKQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide
CID 2977810
ethyl N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]carbamate
CID 27659678
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211568
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 1428300
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]acetamide
CID 18108201
N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047922
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone (CID 62249019) is 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone is NNc1ccc(C(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone?
The InChIKey is UFQLOSXDQDCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-18-15-7-5-13(6-8-15)16(20)19-10-9-12-3-1-2-4-14(12)11-19/h1-8,18H,9-11,17H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone is sourced from PubChem (CID 62249019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).