4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide

C23H21FN4O2 — CID 175084612

IUPAC4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
SMILESN#Cc1ccc(C(=O)N(N)CC2CCC(c3ccnc4ccc(F)cc34)CO2)cc1
InChIInChI=1S/C23H21FN4O2/c24-18-6-8-22-21(11-18)20(9-10-27-22)17-5-7-19(30-14-17)13-28(26)23(29)16-3-1-15(12-25)2-4-16/h1-4,6,8-11,17,19H,5,7,13-14,26H2
InChIKeyUEOLCCRBNKGEIN-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.52
Rot. Bonds4

About 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide

4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide (PubChem CID 175084612) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
PubChem CID175084612
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
SMILESN#Cc1ccc(C(=O)N(N)CC2CCC(c3ccnc4ccc(F)cc34)CO2)cc1
InChIInChI=1S/C23H21FN4O2/c24-18-6-8-22-21(11-18)20(9-10-27-22)17-5-7-19(30-14-17)13-28(26)23(29)16-3-1-15(12-25)2-4-16/h1-4,6,8-11,17,19H,5,7,13-14,26H2
InChIKeyUEOLCCRBNKGEIN-UHFFFAOYSA-N
XLogP3.52
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol
CID 155683148
4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
CID 155683150
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
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethyl 3-cyano-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
CID 142471221
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide
CID 155087745

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide?
The IUPAC name of 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide (CID 175084612) is 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide?
The canonical SMILES for 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide is N#Cc1ccc(C(=O)N(N)CC2CCC(c3ccnc4ccc(F)cc34)CO2)cc1.
What is the InChIKey of 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide?
The InChIKey is UEOLCCRBNKGEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-18-6-8-22-21(11-18)20(9-10-27-22)17-5-7-19(30-14-17)13-28(26)23(29)16-3-1-15(12-25)2-4-16/h1-4,6,8-11,17,19H,5,7,13-14,26H2.
What are the key properties of 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide?
4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide has a molecular weight of 404.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide is sourced from PubChem (CID 175084612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).