3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide

C23H19ClFN3O2 — CID 72944520

IUPAC3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide
SMILESN#Cc1cccc2c(OC3CCC(NC(=O)c4ccc(F)c(Cl)c4)CC3)ccnc12
InChIInChI=1S/C23H19ClFN3O2/c24-19-12-14(4-9-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)
InChIKeyJUJUXYMWBSDELG-UHFFFAOYSA-N
MW423.88 g/mol
LogP5.02
Rot. Bonds4

About 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide

3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide (PubChem CID 72944520) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide
PubChem CID72944520
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC Name3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide
SMILESN#Cc1cccc2c(OC3CCC(NC(=O)c4ccc(F)c(Cl)c4)CC3)ccnc12
InChIInChI=1S/C23H19ClFN3O2/c24-19-12-14(4-9-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29)
InChIKeyJUJUXYMWBSDELG-UHFFFAOYSA-N
XLogP5.02
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide (CID 72944520) is 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide is N#Cc1cccc2c(OC3CCC(NC(=O)c4ccc(F)c(Cl)c4)CC3)ccnc12.
What is the InChIKey of 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide?
The InChIKey is JUJUXYMWBSDELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c24-19-12-14(4-9-20(19)25)23(29)28-16-5-7-17(8-6-16)30-21-10-11-27-22-15(13-26)2-1-3-18(21)22/h1-4,9-12,16-17H,5-8H2,(H,28,29).
What are the key properties of 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide?
3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide has a molecular weight of 423.88 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 72944520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).