4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid

C15H15F2N3O2 — CID 122060103

IUPAC4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C15H15F2N3O2/c16-10-5-12-13(6-11(10)17)20-14(7-18-12)19-9-3-1-8(2-4-9)15(21)22/h5-9H,1-4H2,(H,19,20)(H,21,22)
InChIKeyGIVGVQDNVGKNIK-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.96
Rot. Bonds3

About 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid

4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122060103) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122060103
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C15H15F2N3O2/c16-10-5-12-13(6-11(10)17)20-14(7-18-12)19-9-3-1-8(2-4-9)15(21)22/h5-9H,1-4H2,(H,19,20)(H,21,22)
InChIKeyGIVGVQDNVGKNIK-UHFFFAOYSA-N
XLogP2.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 122060103) is 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1.
What is the InChIKey of 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GIVGVQDNVGKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-10-5-12-13(6-11(10)17)20-14(7-18-12)19-9-3-1-8(2-4-9)15(21)22/h5-9H,1-4H2,(H,19,20)(H,21,22).
What are the key properties of 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid?
4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 307.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).