4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide

C27H26FN3O — CID 154646247

IUPAC4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(CC3CCC(c4ccnc5ccc(F)cc45)CC3)CC2)cc1
InChIInChI=1S/C27H26FN3O/c28-22-9-10-25-24(15-22)23(11-14-30-25)20-5-1-18(2-6-20)16-27(12-13-27)31-26(32)21-7-3-19(17-29)4-8-21/h3-4,7-11,14-15,18,20H,1-2,5-6,12-13,16H2,(H,31,32)
InChIKeyNKYXZOXNRDDUNR-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.87
Rot. Bonds5

About 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide

4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide (PubChem CID 154646247) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
PubChem CID154646247
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(CC3CCC(c4ccnc5ccc(F)cc45)CC3)CC2)cc1
InChIInChI=1S/C27H26FN3O/c28-22-9-10-25-24(15-22)23(11-14-30-25)20-5-1-18(2-6-20)16-27(12-13-27)31-26(32)21-7-3-19(17-29)4-8-21/h3-4,7-11,14-15,18,20H,1-2,5-6,12-13,16H2,(H,31,32)
InChIKeyNKYXZOXNRDDUNR-UHFFFAOYSA-N
XLogP5.87
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
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
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide
CID 155683146
4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
CID 175084612
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide
CID 155087745
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
The IUPAC name of 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide (CID 154646247) is 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide is N#Cc1ccc(C(=O)NC2(CC3CCC(c4ccnc5ccc(F)cc45)CC3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
The InChIKey is NKYXZOXNRDDUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c28-22-9-10-25-24(15-22)23(11-14-30-25)20-5-1-18(2-6-20)16-27(12-13-27)31-26(32)21-7-3-19(17-29)4-8-21/h3-4,7-11,14-15,18,20H,1-2,5-6,12-13,16H2,(H,31,32).
What are the key properties of 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide?
4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide has a molecular weight of 427.52 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide is sourced from PubChem (CID 154646247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).