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

C23H20FN3O2 — CID 72706003

IUPACN-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide
SMILESN#Cc1cccc2c(OC3CCC(NC(=O)c4cccc(F)c4)CC3)ccnc12
InChIInChI=1S/C23H20FN3O2/c24-17-5-1-3-15(13-17)23(28)27-18-7-9-19(10-8-18)29-21-11-12-26-22-16(14-25)4-2-6-20(21)22/h1-6,11-13,18-19H,7-10H2,(H,27,28)
InChIKeyYPARZKBHGSVSFI-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.37
Rot. Bonds4

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

N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide (PubChem CID 72706003) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide
PubChem CID72706003
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide
SMILESN#Cc1cccc2c(OC3CCC(NC(=O)c4cccc(F)c4)CC3)ccnc12
InChIInChI=1S/C23H20FN3O2/c24-17-5-1-3-15(13-17)23(28)27-18-7-9-19(10-8-18)29-21-11-12-26-22-16(14-25)4-2-6-20(21)22/h1-6,11-13,18-19H,7-10H2,(H,27,28)
InChIKeyYPARZKBHGSVSFI-UHFFFAOYSA-N
XLogP4.37
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide (CID 72706003) is N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide is N#Cc1cccc2c(OC3CCC(NC(=O)c4cccc(F)c4)CC3)ccnc12.
What is the InChIKey of N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
The InChIKey is YPARZKBHGSVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-17-5-1-3-15(13-17)23(28)27-18-7-9-19(10-8-18)29-21-11-12-26-22-16(14-25)4-2-6-20(21)22/h1-6,11-13,18-19H,7-10H2,(H,27,28).
What are the key properties of N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide has a molecular weight of 389.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-cyanoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide is sourced from PubChem (CID 72706003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).