N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide

C22H25N3O2 — CID 16727608

IUPACN'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C22H25N3O2/c1-13(26)24-25-21(27)20-9-18(17-4-2-3-5-19(17)23-20)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyZAFMLQFQBGCMGZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.48
Rot. Bonds2

About N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide

N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide (PubChem CID 16727608) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide
PubChem CID16727608
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1
InChIInChI=1S/C22H25N3O2/c1-13(26)24-25-21(27)20-9-18(17-4-2-3-5-19(17)23-20)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyZAFMLQFQBGCMGZ-UHFFFAOYSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide (CID 16727608) is N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide is CC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1.
What is the InChIKey of N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide?
The InChIKey is ZAFMLQFQBGCMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13(26)24-25-21(27)20-9-18(17-4-2-3-5-19(17)23-20)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide?
N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide has a molecular weight of 363.46 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 16727608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).