8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide

C25H25F2N5O3 — CID 59292910

IUPAC8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccn(CCN(C)C)c3)c3nccnc23)c1F
InChIInChI=1S/C25H25F2N5O3/c1-31(2)11-12-32-10-7-15(14-32)30-25(33)17-6-5-16(23-24(17)29-9-8-28-23)20-21(26)18(34-3)13-19(35-4)22(20)27/h5-10,13-14H,11-12H2,1-4H3,(H,30,33)
InChIKeyUIQZWARAWHZYJB-UHFFFAOYSA-N
MW481.50 g/mol
LogP4.21
Rot. Bonds8

About 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide (PubChem CID 59292910) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide
PubChem CID59292910
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccn(CCN(C)C)c3)c3nccnc23)c1F
InChIInChI=1S/C25H25F2N5O3/c1-31(2)11-12-32-10-7-15(14-32)30-25(33)17-6-5-16(23-24(17)29-9-8-28-23)20-21(26)18(34-3)13-19(35-4)22(20)27/h5-10,13-14H,11-12H2,1-4H3,(H,30,33)
InChIKeyUIQZWARAWHZYJB-UHFFFAOYSA-N
XLogP4.21
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide?
The IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide (CID 59292910) is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide?
The canonical SMILES for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide is COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccn(CCN(C)C)c3)c3nccnc23)c1F.
What is the InChIKey of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide?
The InChIKey is UIQZWARAWHZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-31(2)11-12-32-10-7-15(14-32)30-25(33)17-6-5-16(23-24(17)29-9-8-28-23)20-21(26)18(34-3)13-19(35-4)22(20)27/h5-10,13-14H,11-12H2,1-4H3,(H,30,33).
What are the key properties of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide?
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 59292910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).