2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide

C27H29FN6O — CID 659512

IUPAC2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
SMILESN#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H29FN6O/c28-19-10-12-21(13-11-19)33-14-16-34(17-15-33)26-25(31-23-8-4-5-9-24(23)32-26)22(18-29)27(35)30-20-6-2-1-3-7-20/h4-5,8-13,20,22H,1-3,6-7,14-17H2,(H,30,35)
InChIKeyBTUIUUQVFPIYQT-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.15
Rot. Bonds5

About 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide

2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide (PubChem CID 659512) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
PubChem CID659512
Molecular FormulaC27H29FN6O
Molecular Weight472.57 g/mol
Exact Mass472.24
IUPAC Name2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
SMILESN#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H29FN6O/c28-19-10-12-21(13-11-19)33-14-16-34(17-15-33)26-25(31-23-8-4-5-9-24(23)32-26)22(18-29)27(35)30-20-6-2-1-3-7-20/h4-5,8-13,20,22H,1-3,6-7,14-17H2,(H,30,35)
InChIKeyBTUIUUQVFPIYQT-UHFFFAOYSA-N
XLogP4.15
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
The IUPAC name of 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide (CID 659512) is 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide is N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
The InChIKey is BTUIUUQVFPIYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O/c28-19-10-12-21(13-11-19)33-14-16-34(17-15-33)26-25(31-23-8-4-5-9-24(23)32-26)22(18-29)27(35)30-20-6-2-1-3-7-20/h4-5,8-13,20,22H,1-3,6-7,14-17H2,(H,30,35).
What are the key properties of 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide has a molecular weight of 472.57 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 659512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).