N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

C22H23F2N5O4 — CID 69240969

IUPACN-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)c(F)cc4nc3OC)CC2)c1
InChIInChI=1S/C22H23F2N5O4/c1-31-14-8-13(9-15(10-14)32-2)28-4-6-29(7-5-28)22(30)27-20-21(33-3)26-19-12-17(24)16(23)11-18(19)25-20/h8-12H,4-7H2,1-3H3,(H,25,27,30)
InChIKeyKNXFOCLSZAAACH-UHFFFAOYSA-N
MW459.45 g/mol
LogP3.29
Rot. Bonds5

About N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 69240969) has the molecular formula C22H23F2N5O4 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID69240969
Molecular FormulaC22H23F2N5O4
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC NameN-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)c(F)cc4nc3OC)CC2)c1
InChIInChI=1S/C22H23F2N5O4/c1-31-14-8-13(9-15(10-14)32-2)28-4-6-29(7-5-28)22(30)27-20-21(33-3)26-19-12-17(24)16(23)11-18(19)25-20/h8-12H,4-7H2,1-3H3,(H,25,27,30)
InChIKeyKNXFOCLSZAAACH-UHFFFAOYSA-N
XLogP3.29
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide (CID 69240969) is N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide is COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)c(F)cc4nc3OC)CC2)c1.
What is the InChIKey of N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is KNXFOCLSZAAACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O4/c1-31-14-8-13(9-15(10-14)32-2)28-4-6-29(7-5-28)22(30)27-20-21(33-3)26-19-12-17(24)16(23)11-18(19)25-20/h8-12H,4-7H2,1-3H3,(H,25,27,30).
What are the key properties of N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 69240969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).