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

C17H19N3O — CID 63211568

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)ccc1NN
InChIInChI=1S/C17H19N3O/c1-12-10-14(6-7-16(12)19-18)17(21)20-9-8-13-4-2-3-5-15(13)11-20/h2-7,10,19H,8-9,11,18H2,1H3
InChIKeyQDLAAAIEOSCKMI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.48
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone (PubChem CID 63211568) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
PubChem CID63211568
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)ccc1NN
InChIInChI=1S/C17H19N3O/c1-12-10-14(6-7-16(12)19-18)17(21)20-9-8-13-4-2-3-5-15(13)11-20/h2-7,10,19H,8-9,11,18H2,1H3
InChIKeyQDLAAAIEOSCKMI-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.48
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-(4-hydrazinylphenyl)methanone
CID 62249019
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 126414305
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3,5-dimethylphenyl)benzamide
CID 109055346
ethyl N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]carbamate
CID 27659678
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158432
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 65286838
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-methylphenyl)sulfanylphenyl]acetamide
CID 4306358

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone (CID 63211568) is 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCc3ccccc3C2)ccc1NN.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone?
The InChIKey is QDLAAAIEOSCKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-10-14(6-7-16(12)19-18)17(21)20-9-8-13-4-2-3-5-15(13)11-20/h2-7,10,19H,8-9,11,18H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.48, 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-hydrazinyl-3-methylphenyl)methanone is sourced from PubChem (CID 63211568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).