3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide

C20H21N3O2 — CID 110026466

IUPAC3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide
SMILESCc1cc2ccccc2nc1NNC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14-12-15-8-6-7-11-17(15)21-19(14)23-22-18(24)13-20(2,25)16-9-4-3-5-10-16/h3-12,25H,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQVCGWCFHGDKPU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.28
Rot. Bonds5

About 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide

3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide (PubChem CID 110026466) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide
PubChem CID110026466
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide
SMILESCc1cc2ccccc2nc1NNC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14-12-15-8-6-7-11-17(15)21-19(14)23-22-18(24)13-20(2,25)16-9-4-3-5-10-16/h3-12,25H,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQVCGWCFHGDKPU-UHFFFAOYSA-N
XLogP3.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide?
The IUPAC name of 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide (CID 110026466) is 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide.
What is the SMILES notation for 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide?
The canonical SMILES for 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide is Cc1cc2ccccc2nc1NNC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide?
The InChIKey is GQVCGWCFHGDKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-12-15-8-6-7-11-17(15)21-19(14)23-22-18(24)13-20(2,25)16-9-4-3-5-10-16/h3-12,25H,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide?
3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide has a molecular weight of 335.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide is sourced from PubChem (CID 110026466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).