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

C16H16FN3O — CID 62661303

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
SMILESNNc1c(F)cccc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C16H16FN3O/c17-14-7-3-6-13(15(14)19-18)16(21)20-9-8-11-4-1-2-5-12(11)10-20/h1-7,19H,8-10,18H2
InChIKeyRZAQXWHLPXDSTO-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.31
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone (PubChem CID 62661303) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
PubChem CID62661303
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
SMILESNNc1c(F)cccc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C16H16FN3O/c17-14-7-3-6-13(15(14)19-18)16(21)20-9-8-11-4-1-2-5-12(11)10-20/h1-7,19H,8-10,18H2
InChIKeyRZAQXWHLPXDSTO-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.31
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

3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109055372
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
(3,5-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinylphenyl)methanone
CID 55100115
(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62660994
(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 113336142
[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236119
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
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-(3-fluoro-2-hydrazinylphenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone (CID 62661303) is 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone is NNc1c(F)cccc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone?
The InChIKey is RZAQXWHLPXDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-7-3-6-13(15(14)19-18)16(21)20-9-8-11-4-1-2-5-12(11)10-20/h1-7,19H,8-10,18H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone has a molecular weight of 285.32 g/mol, XLogP of 2.31, 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-(3-fluoro-2-hydrazinylphenyl)methanone is sourced from PubChem (CID 62661303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).