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

C17H25N3O2 — CID 38707921

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-2-3-4-11-16(21)18-19-17(22)13-20-12-7-9-14-8-5-6-10-15(14)20/h5-6,8,10H,2-4,7,9,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyXQOQOZQRPHOAPN-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.17
Rot. Bonds6

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

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide (PubChem CID 38707921) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
PubChem CID38707921
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-2-3-4-11-16(21)18-19-17(22)13-20-12-7-9-14-8-5-6-10-15(14)20/h5-6,8,10H,2-4,7,9,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyXQOQOZQRPHOAPN-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide (CID 38707921) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide is CCCCCC(=O)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide?
The InChIKey is XQOQOZQRPHOAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-3-4-11-16(21)18-19-17(22)13-20-12-7-9-14-8-5-6-10-15(14)20/h5-6,8,10H,2-4,7,9,11-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide has a molecular weight of 303.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide is sourced from PubChem (CID 38707921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).