3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide

C19H19N3O2 — CID 110026460

IUPAC3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
SMILESCC(O)(CC(=O)NNc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-19(24,15-8-3-2-4-9-15)13-18(23)22-21-17-12-11-14-7-5-6-10-16(14)20-17/h2-12,24H,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyWTZHHIQFGJXFLO-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.98
Rot. Bonds5

About 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide

3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide (PubChem CID 110026460) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
PubChem CID110026460
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
SMILESCC(O)(CC(=O)NNc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-19(24,15-8-3-2-4-9-15)13-18(23)22-21-17-12-11-14-7-5-6-10-16(14)20-17/h2-12,24H,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyWTZHHIQFGJXFLO-UHFFFAOYSA-N
XLogP2.98
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.98
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-3-phenyl-N'-quinolin-2-ylbutanehydrazide?
The IUPAC name of 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide (CID 110026460) is 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide.
What is the SMILES notation for 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide?
The canonical SMILES for 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide is CC(O)(CC(=O)NNc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide?
The InChIKey is WTZHHIQFGJXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(24,15-8-3-2-4-9-15)13-18(23)22-21-17-12-11-14-7-5-6-10-16(14)20-17/h2-12,24H,13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide?
3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide has a molecular weight of 321.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide is sourced from PubChem (CID 110026460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).