4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide

C26H27FN4O2 — CID 155683140

IUPAC4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide
SMILESN#Cc1ccc(C(=O)NN(CCO)CC2CCC(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C26H27FN4O2/c27-22-9-10-25-24(15-22)23(11-12-29-25)20-5-3-19(4-6-20)17-31(13-14-32)30-26(33)21-7-1-18(16-28)2-8-21/h1-2,7-12,15,19-20,32H,3-6,13-14,17H2,(H,30,33)
InChIKeyUIDHOWFKPCXZKB-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.16
Rot. Bonds7

About 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide

4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide (PubChem CID 155683140) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide.

Molecular Properties

Compound Name4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide
PubChem CID155683140
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide
SMILESN#Cc1ccc(C(=O)NN(CCO)CC2CCC(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C26H27FN4O2/c27-22-9-10-25-24(15-22)23(11-12-29-25)20-5-3-19(4-6-20)17-31(13-14-32)30-26(33)21-7-1-18(16-28)2-8-21/h1-2,7-12,15,19-20,32H,3-6,13-14,17H2,(H,30,33)
InChIKeyUIDHOWFKPCXZKB-UHFFFAOYSA-N
XLogP4.16
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
CID 155683150
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
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
CID 175084612
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
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
2-[4-[3-(4-cyanoanilino)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-3-oxopropyl]phenyl]propanoic acid
CID 121333246
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide?
The IUPAC name of 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide (CID 155683140) is 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide.
What is the SMILES notation for 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide?
The canonical SMILES for 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide is N#Cc1ccc(C(=O)NN(CCO)CC2CCC(c3ccnc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide?
The InChIKey is UIDHOWFKPCXZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-22-9-10-25-24(15-22)23(11-12-29-25)20-5-3-19(4-6-20)17-31(13-14-32)30-26(33)21-7-1-18(16-28)2-8-21/h1-2,7-12,15,19-20,32H,3-6,13-14,17H2,(H,30,33).
What are the key properties of 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide?
4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide has a molecular weight of 446.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide is sourced from PubChem (CID 155683140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).