4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide

C26H24FN5O — CID 155683150

IUPAC4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
SMILESN#CCN(CC1CCC(c2ccnc3ccc(F)cc23)CC1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C26H24FN5O/c27-22-9-10-25-24(15-22)23(11-13-30-25)20-5-3-19(4-6-20)17-32(14-12-28)31-26(33)21-7-1-18(16-29)2-8-21/h1-2,7-11,13,15,19-20H,3-6,14,17H2,(H,31,33)
InChIKeyOZGBEJPJHMUTRI-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.69
Rot. Bonds6

About 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide

4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide (PubChem CID 155683150) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
PubChem CID155683150
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC Name4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
SMILESN#CCN(CC1CCC(c2ccnc3ccc(F)cc23)CC1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C26H24FN5O/c27-22-9-10-25-24(15-22)23(11-13-30-25)20-5-3-19(4-6-20)17-32(14-12-28)31-26(33)21-7-1-18(16-29)2-8-21/h1-2,7-11,13,15,19-20H,3-6,14,17H2,(H,31,33)
InChIKeyOZGBEJPJHMUTRI-UHFFFAOYSA-N
XLogP4.69
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide with MolForge

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Related Compounds

4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide
CID 155683140
4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646247
4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide
CID 155683146
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
CID 175084612
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide
CID 155087745
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide?
The IUPAC name of 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide (CID 155683150) is 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide.
What is the SMILES notation for 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide?
The canonical SMILES for 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide is N#CCN(CC1CCC(c2ccnc3ccc(F)cc23)CC1)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide?
The InChIKey is OZGBEJPJHMUTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c27-22-9-10-25-24(15-22)23(11-13-30-25)20-5-3-19(4-6-20)17-32(14-12-28)31-26(33)21-7-1-18(16-29)2-8-21/h1-2,7-11,13,15,19-20H,3-6,14,17H2,(H,31,33).
What are the key properties of 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide?
4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide has a molecular weight of 441.51 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide is sourced from PubChem (CID 155683150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).