N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C23H26FN5O5 — CID 11540072

IUPACN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C23H26FN5O5/c1-31-18-12-15(13-19(32-2)20(18)33-3)28-7-9-29(10-8-28)23(30)27-21-22(34-4)26-16-6-5-14(24)11-17(16)25-21/h5-6,11-13H,7-10H2,1-4H3,(H,25,27,30)
InChIKeyGJGGTBGJSAIRKQ-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.16
Rot. Bonds6

About N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 11540072) has the molecular formula C23H26FN5O5 and a molecular weight of 471.49 g/mol. Its IUPAC name is N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID11540072
Molecular FormulaC23H26FN5O5
Molecular Weight471.49 g/mol
Exact Mass471.19
IUPAC NameN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C23H26FN5O5/c1-31-18-12-15(13-19(32-2)20(18)33-3)28-7-9-29(10-8-28)23(30)27-21-22(34-4)26-16-6-5-14(24)11-17(16)25-21/h5-6,11-13H,7-10H2,1-4H3,(H,25,27,30)
InChIKeyGJGGTBGJSAIRKQ-UHFFFAOYSA-N
XLogP3.16
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 11540072) is N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)cc(OC)c1OC.
What is the InChIKey of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is GJGGTBGJSAIRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5/c1-31-18-12-15(13-19(32-2)20(18)33-3)28-7-9-29(10-8-28)23(30)27-21-22(34-4)26-16-6-5-14(24)11-17(16)25-21/h5-6,11-13H,7-10H2,1-4H3,(H,25,27,30).
What are the key properties of N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11540072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).