N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide

C17H22N4O3S — CID 25336509

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
SMILESO=C(CCN1CCSC1=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C17H22N4O3S/c22-15(7-9-20-10-11-25-17(20)24)18-19-16(23)12-21-8-3-5-13-4-1-2-6-14(13)21/h1-2,4,6H,3,5,7-12H2,(H,18,22)(H,19,23)
InChIKeyCHWFKCARHNPLNF-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.15
Rot. Bonds5

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide (PubChem CID 25336509) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
PubChem CID25336509
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
SMILESO=C(CCN1CCSC1=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C17H22N4O3S/c22-15(7-9-20-10-11-25-17(20)24)18-19-16(23)12-21-8-3-5-13-4-1-2-6-14(13)21/h1-2,4,6H,3,5,7-12H2,(H,18,22)(H,19,23)
InChIKeyCHWFKCARHNPLNF-UHFFFAOYSA-N
XLogP1.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
CID 9159820
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]-2-phenylacetohydrazide
CID 7923496
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7479503
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 26047098
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 29493687
(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
CID 8969590
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide (CID 25336509) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide is O=C(CCN1CCSC1=O)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
The InChIKey is CHWFKCARHNPLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-15(7-9-20-10-11-25-17(20)24)18-19-16(23)12-21-8-3-5-13-4-1-2-6-14(13)21/h1-2,4,6H,3,5,7-12H2,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide has a molecular weight of 362.46 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide is sourced from PubChem (CID 25336509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).