4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide

C24H23N3O2 — CID 72944410

IUPAC4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCC(Oc3ccnc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N3O2/c25-15-17-5-9-19(10-6-17)24(28)27-16-18-7-11-20(12-8-18)29-23-13-14-26-22-4-2-1-3-21(22)23/h1-6,9-10,13-14,18,20H,7-8,11-12,16H2,(H,27,28)
InChIKeyFABHHTCZIHUKJB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.47
Rot. Bonds5

About 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide

4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide (PubChem CID 72944410) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
PubChem CID72944410
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCC(Oc3ccnc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N3O2/c25-15-17-5-9-19(10-6-17)24(28)27-16-18-7-11-20(12-8-18)29-23-13-14-26-22-4-2-1-3-21(22)23/h1-6,9-10,13-14,18,20H,7-8,11-12,16H2,(H,27,28)
InChIKeyFABHHTCZIHUKJB-UHFFFAOYSA-N
XLogP4.47
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944200
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896060
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702
4-(4-propan-2-ylcyclohexyl)oxyquinoline
CID 155416383
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N-[[2-(bromomethyl)cyclopentyl]methyl]-4-cyanobenzamide
CID 114317040
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
CID 114303029
N-[2-[(1S,5R)-3-cinnolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propan-2-yl]-4-cyanobenzamide
CID 153289106
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide (CID 72944410) is 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide is N#Cc1ccc(C(=O)NCC2CCC(Oc3ccnc4ccccc34)CC2)cc1.
What is the InChIKey of 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The InChIKey is FABHHTCZIHUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c25-15-17-5-9-19(10-6-17)24(28)27-16-18-7-11-20(12-8-18)29-23-13-14-26-22-4-2-1-3-21(22)23/h1-6,9-10,13-14,18,20H,7-8,11-12,16H2,(H,27,28).
What are the key properties of 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 72944410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).