8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide

C27H26F2N6O3 — CID 59292905

IUPAC8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)cn3)c3nccnc23)c1F
InChIInChI=1S/C27H26F2N6O3/c1-37-19-13-20(38-2)24(29)22(23(19)28)17-4-5-18(26-25(17)31-7-8-32-26)27(36)34-21-6-3-16(14-33-21)15-35-11-9-30-10-12-35/h3-8,13-14,30H,9-12,15H2,1-2H3,(H,33,34,36)
InChIKeyXNOQKRCZJXLTHH-UHFFFAOYSA-N
MW520.54 g/mol
LogP3.64
Rot. Bonds7

About 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide (PubChem CID 59292905) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide
PubChem CID59292905
Molecular FormulaC27H26F2N6O3
Molecular Weight520.54 g/mol
Exact Mass520.20
IUPAC Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)cn3)c3nccnc23)c1F
InChIInChI=1S/C27H26F2N6O3/c1-37-19-13-20(38-2)24(29)22(23(19)28)17-4-5-18(26-25(17)31-7-8-32-26)27(36)34-21-6-3-16(14-33-21)15-35-11-9-30-10-12-35/h3-8,13-14,30H,9-12,15H2,1-2H3,(H,33,34,36)
InChIKeyXNOQKRCZJXLTHH-UHFFFAOYSA-N
XLogP3.64
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
The IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide (CID 59292905) is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
The canonical SMILES for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide is COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)cn3)c3nccnc23)c1F.
What is the InChIKey of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
The InChIKey is XNOQKRCZJXLTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-37-19-13-20(38-2)24(29)22(23(19)28)17-4-5-18(26-25(17)31-7-8-32-26)27(36)34-21-6-3-16(14-33-21)15-35-11-9-30-10-12-35/h3-8,13-14,30H,9-12,15H2,1-2H3,(H,33,34,36).
What are the key properties of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide has a molecular weight of 520.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 59292905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).