N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide

C22H26ClF3N4O — CID 11408427

IUPACN-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(C(F)(F)F)CC1)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12
InChIInChI=1S/C22H26ClF3N4O/c23-17-6-7-18-16(5-8-19(28-18)30-11-9-27-10-12-30)21(17)29-20(31)13-14-1-3-15(4-2-14)22(24,25)26/h5-8,14-15,27H,1-4,9-13H2,(H,29,31)
InChIKeyFHUQHJJFACHEEQ-UHFFFAOYSA-N
MW454.92 g/mol
LogP5.00
Rot. Bonds4

About N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide

N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 11408427) has the molecular formula C22H26ClF3N4O and a molecular weight of 454.92 g/mol. Its IUPAC name is N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID11408427
Molecular FormulaC22H26ClF3N4O
Molecular Weight454.92 g/mol
Exact Mass454.17
IUPAC NameN-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(C(F)(F)F)CC1)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12
InChIInChI=1S/C22H26ClF3N4O/c23-17-6-7-18-16(5-8-19(28-18)30-11-9-27-10-12-30)21(17)29-20(31)13-14-1-3-15(4-2-14)22(24,25)26/h5-8,14-15,27H,1-4,9-13H2,(H,29,31)
InChIKeyFHUQHJJFACHEEQ-UHFFFAOYSA-N
XLogP5.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 11408427) is N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CC1CCC(C(F)(F)F)CC1)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12.
What is the InChIKey of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is FHUQHJJFACHEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF3N4O/c23-17-6-7-18-16(5-8-19(28-18)30-11-9-27-10-12-30)21(17)29-20(31)13-14-1-3-15(4-2-14)22(24,25)26/h5-8,14-15,27H,1-4,9-13H2,(H,29,31).
What are the key properties of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 454.92 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 11408427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).