2-(1-adamantyl)quinoline-4-carbohydrazide

C20H23N3O — CID 2842957

IUPAC2-(1-adamantyl)quinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12
InChIInChI=1S/C20H23N3O/c21-23-19(24)16-8-18(22-17-4-2-1-3-15(16)17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11,21H2,(H,23,24)
InChIKeySHBVMORRRJEXOD-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.31
Rot. Bonds2

About 2-(1-adamantyl)quinoline-4-carbohydrazide

2-(1-adamantyl)quinoline-4-carbohydrazide (PubChem CID 2842957) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(1-adamantyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)quinoline-4-carbohydrazide
PubChem CID2842957
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(1-adamantyl)quinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12
InChIInChI=1S/C20H23N3O/c21-23-19(24)16-8-18(22-17-4-2-1-3-15(16)17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11,21H2,(H,23,24)
InChIKeySHBVMORRRJEXOD-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(1-adamantyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(1-adamantyl)quinoline-4-carbohydrazide (CID 2842957) is 2-(1-adamantyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(1-adamantyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(1-adamantyl)quinoline-4-carbohydrazide is NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12.
What is the InChIKey of 2-(1-adamantyl)quinoline-4-carbohydrazide?
The InChIKey is SHBVMORRRJEXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-23-19(24)16-8-18(22-17-4-2-1-3-15(16)17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11,21H2,(H,23,24).
What are the key properties of 2-(1-adamantyl)quinoline-4-carbohydrazide?
2-(1-adamantyl)quinoline-4-carbohydrazide has a molecular weight of 321.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 2842957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).