1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one

C12H13N5OS — CID 62245783

IUPAC1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESNNc1snnc1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H13N5OS/c13-14-12-9(15-16-19-12)7-17-10-4-2-1-3-8(10)5-6-11(17)18/h1-4,14H,5-7,13H2
InChIKeyMFDQUTGJEQFBKZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.30
Rot. Bonds3

About 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one

1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 62245783) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID62245783
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESNNc1snnc1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H13N5OS/c13-14-12-9(15-16-19-12)7-17-10-4-2-1-3-8(10)5-6-11(17)18/h1-4,14H,5-7,13H2
InChIKeyMFDQUTGJEQFBKZ-UHFFFAOYSA-N
XLogP1.30
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiadiazol-5-yl]hydrazine
CID 63152947
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62245568
1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 62209370
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
CID 141154790
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
CID 79251878
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one (CID 62245783) is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one is NNc1snnc1CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is MFDQUTGJEQFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-14-12-9(15-16-19-12)7-17-10-4-2-1-3-8(10)5-6-11(17)18/h1-4,14H,5-7,13H2.
What are the key properties of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 275.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 62245783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).