2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide

C21H25N3O3S — CID 8614282

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25N3O3S/c25-21(15-24-13-5-9-17-7-3-4-10-20(17)24)22-23-28(26,27)19-12-11-16-6-1-2-8-18(16)14-19/h3-4,7,10-12,14,23H,1-2,5-6,8-9,13,15H2,(H,22,25)
InChIKeyYZLNZOTWORRWBL-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.33
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide

2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide (PubChem CID 8614282) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
PubChem CID8614282
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25N3O3S/c25-21(15-24-13-5-9-17-7-3-4-10-20(17)24)22-23-28(26,27)19-12-11-16-6-1-2-8-18(16)14-19/h3-4,7,10-12,14,23H,1-2,5-6,8-9,13,15H2,(H,22,25)
InChIKeyYZLNZOTWORRWBL-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
CID 2330130
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide
CID 8614287
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46663815
2-(2,4-dichlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]acetohydrazide
CID 7923511
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 24554708
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide (CID 8614282) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide is O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
The InChIKey is YZLNZOTWORRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(15-24-13-5-9-17-7-3-4-10-20(17)24)22-23-28(26,27)19-12-11-16-6-1-2-8-18(16)14-19/h3-4,7,10-12,14,23H,1-2,5-6,8-9,13,15H2,(H,22,25).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide has a molecular weight of 399.52 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide is sourced from PubChem (CID 8614282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).