N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide

C21H22N4O2 — CID 26775333

IUPACN'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCC(C)CCC(=O)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H22N4O2/c1-14(2)10-11-20(26)24-25-21(27)16-13-19(18-9-5-6-12-22-18)23-17-8-4-3-7-15(16)17/h3-9,12-14H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJAIJTWOOERBYDL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.49
Rot. Bonds5

About N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide

N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide (PubChem CID 26775333) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
PubChem CID26775333
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCC(C)CCC(=O)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H22N4O2/c1-14(2)10-11-20(26)24-25-21(27)16-13-19(18-9-5-6-12-22-18)23-17-8-4-3-7-15(16)17/h3-9,12-14H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJAIJTWOOERBYDL-UHFFFAOYSA-N
XLogP3.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
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 N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide (CID 26775333) is N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide is CC(C)CCC(=O)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The InChIKey is JAIJTWOOERBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)10-11-20(26)24-25-21(27)16-13-19(18-9-5-6-12-22-18)23-17-8-4-3-7-15(16)17/h3-9,12-14H,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide has a molecular weight of 362.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 26775333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).