4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide

C25H26FN3O2 — CID 162465060

IUPAC4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
SMILESC[C@@H](C(=O)c1ccc(C(=O)NN)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H26FN3O2/c1-15(24(30)18-6-8-19(9-7-18)25(31)29-27)16-2-4-17(5-3-16)21-12-13-28-23-11-10-20(26)14-22(21)23/h6-17H,2-5,27H2,1H3,(H,29,31)/t15-,16?,17?/m1/s1
InChIKeyUXJHGAQOUXZTJN-KLAILNCOSA-N
MW419.50 g/mol
LogP4.77
Rot. Bonds5

About 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide

4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide (PubChem CID 162465060) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
PubChem CID162465060
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
SMILESC[C@@H](C(=O)c1ccc(C(=O)NN)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H26FN3O2/c1-15(24(30)18-6-8-19(9-7-18)25(31)29-27)16-2-4-17(5-3-16)21-12-13-28-23-11-10-20(26)14-22(21)23/h6-17H,2-5,27H2,1H3,(H,29,31)/t15-,16?,17?/m1/s1
InChIKeyUXJHGAQOUXZTJN-KLAILNCOSA-N
XLogP4.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.77
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 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide?
The IUPAC name of 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide (CID 162465060) is 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide.
What is the SMILES notation for 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide?
The canonical SMILES for 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide is C[C@@H](C(=O)c1ccc(C(=O)NN)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide?
The InChIKey is UXJHGAQOUXZTJN-KLAILNCOSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-15(24(30)18-6-8-19(9-7-18)25(31)29-27)16-2-4-17(5-3-16)21-12-13-28-23-11-10-20(26)14-22(21)23/h6-17H,2-5,27H2,1H3,(H,29,31)/t15-,16?,17?/m1/s1.
What are the key properties of 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide?
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide has a molecular weight of 419.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide is sourced from PubChem (CID 162465060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).