2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide

C16H20N4O4S — CID 8614287

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide
SMILESCc1noc(C)c1S(=O)(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C16H20N4O4S/c1-11-16(12(2)24-18-11)25(22,23)19-17-15(21)10-20-9-5-7-13-6-3-4-8-14(13)20/h3-4,6,8,19H,5,7,9-10H2,1-2H3,(H,17,21)
InChIKeyLIDRNTLYJAWULX-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.05
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide

2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide (PubChem CID 8614287) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide
PubChem CID8614287
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide
SMILESCc1noc(C)c1S(=O)(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C16H20N4O4S/c1-11-16(12(2)24-18-11)25(22,23)19-17-15(21)10-20-9-5-7-13-6-3-4-8-14(13)20/h3-4,6,8,19H,5,7,9-10H2,1-2H3,(H,17,21)
InChIKeyLIDRNTLYJAWULX-UHFFFAOYSA-N
XLogP1.05
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
CID 2330130
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110615311
3-(2-chloro-6-fluorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26260200
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
CID 8969590
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide (CID 8614287) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide is Cc1noc(C)c1S(=O)(=O)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide?
The InChIKey is LIDRNTLYJAWULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11-16(12(2)24-18-11)25(22,23)19-17-15(21)10-20-9-5-7-13-6-3-4-8-14(13)20/h3-4,6,8,19H,5,7,9-10H2,1-2H3,(H,17,21).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide has a molecular weight of 364.43 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide is sourced from PubChem (CID 8614287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).