6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide

C21H21ClN4O — CID 86683004

IUPAC6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide
SMILESNNC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H21ClN4O/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(27)25-23)20(24-17)26-11-5-2-6-12-26/h1,3-4,7-10,13H,2,5-6,11-12,23H2,(H,25,27)
InChIKeyVIMYAJPORKZCAX-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.15
Rot. Bonds3

About 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide

6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide (PubChem CID 86683004) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide
PubChem CID86683004
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide
SMILESNNC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H21ClN4O/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(27)25-23)20(24-17)26-11-5-2-6-12-26/h1,3-4,7-10,13H,2,5-6,11-12,23H2,(H,25,27)
InChIKeyVIMYAJPORKZCAX-UHFFFAOYSA-N
XLogP4.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide?
The IUPAC name of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide (CID 86683004) is 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide.
What is the SMILES notation for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide?
The canonical SMILES for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide is NNC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide?
The InChIKey is VIMYAJPORKZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(27)25-23)20(24-17)26-11-5-2-6-12-26/h1,3-4,7-10,13H,2,5-6,11-12,23H2,(H,25,27).
What are the key properties of 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide?
6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide has a molecular weight of 380.88 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide is sourced from PubChem (CID 86683004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).