N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide

C23H20BrN3O2 — CID 72944309

IUPACN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NC2CCC(Oc3ccnc4c(Br)cccc34)CC2)cc1
InChIInChI=1S/C23H20BrN3O2/c24-20-3-1-2-19-21(12-13-26-22(19)20)29-18-10-8-17(9-11-18)27-23(28)16-6-4-15(14-25)5-7-16/h1-7,12-13,17-18H,8-11H2,(H,27,28)
InChIKeyDAZKXJJTODKOBG-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.99
Rot. Bonds4

About N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide

N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide (PubChem CID 72944309) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide
PubChem CID72944309
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NC2CCC(Oc3ccnc4c(Br)cccc34)CC2)cc1
InChIInChI=1S/C23H20BrN3O2/c24-20-3-1-2-19-21(12-13-26-22(19)20)29-18-10-8-17(9-11-18)27-23(28)16-6-4-15(14-25)5-7-16/h1-7,12-13,17-18H,8-11H2,(H,27,28)
InChIKeyDAZKXJJTODKOBG-UHFFFAOYSA-N
XLogP4.99
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide?
The IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide (CID 72944309) is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide.
What is the SMILES notation for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide?
The canonical SMILES for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide is N#Cc1ccc(C(=O)NC2CCC(Oc3ccnc4c(Br)cccc34)CC2)cc1.
What is the InChIKey of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide?
The InChIKey is DAZKXJJTODKOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c24-20-3-1-2-19-21(12-13-26-22(19)20)29-18-10-8-17(9-11-18)27-23(28)16-6-4-15(14-25)5-7-16/h1-7,12-13,17-18H,8-11H2,(H,27,28).
What are the key properties of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide?
N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide has a molecular weight of 450.34 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-4-cyanobenzamide is sourced from PubChem (CID 72944309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).