2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid

C23H25FN4O2 — CID 70664631

IUPAC2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid
SMILESCNC1CCC(N(C)c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-25-17-8-10-18(11-9-17)28(2)22-21(14-3-6-16(24)7-4-14)26-19-12-5-15(23(29)30)13-20(19)27-22/h3-7,12-13,17-18,25H,8-11H2,1-2H3,(H,29,30)
InChIKeyFNUJJUNCZBNFBI-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.10
Rot. Bonds5

About 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid

2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid (PubChem CID 70664631) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid
PubChem CID70664631
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid
SMILESCNC1CCC(N(C)c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-25-17-8-10-18(11-9-17)28(2)22-21(14-3-6-16(24)7-4-14)26-19-12-5-15(23(29)30)13-20(19)27-22/h3-7,12-13,17-18,25H,8-11H2,1-2H3,(H,29,30)
InChIKeyFNUJJUNCZBNFBI-UHFFFAOYSA-N
XLogP4.10
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid (CID 70664631) is 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid is CNC1CCC(N(C)c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid?
The InChIKey is FNUJJUNCZBNFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-25-17-8-10-18(11-9-17)28(2)22-21(14-3-6-16(24)7-4-14)26-19-12-5-15(23(29)30)13-20(19)27-22/h3-7,12-13,17-18,25H,8-11H2,1-2H3,(H,29,30).
What are the key properties of 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid?
2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid has a molecular weight of 408.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[methyl-[4-(methylamino)cyclohexyl]amino]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70664631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).