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

C15H17F2N5O2 — CID 70037628

IUPAC2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid
SMILESCN1CCN(C(=O)O)C(CNc2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C15H17F2N5O2/c1-21-2-3-22(15(23)24)9(8-21)6-19-14-7-18-12-4-10(16)11(17)5-13(12)20-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,19,20)(H,23,24)
InChIKeyCDXQVJQOTXNBAS-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.61
Rot. Bonds3

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

2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid (PubChem CID 70037628) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid
PubChem CID70037628
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid
SMILESCN1CCN(C(=O)O)C(CNc2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C15H17F2N5O2/c1-21-2-3-22(15(23)24)9(8-21)6-19-14-7-18-12-4-10(16)11(17)5-13(12)20-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,19,20)(H,23,24)
InChIKeyCDXQVJQOTXNBAS-UHFFFAOYSA-N
XLogP1.61
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid?
The IUPAC name of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid (CID 70037628) is 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid?
The canonical SMILES for 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid is CN1CCN(C(=O)O)C(CNc2cnc3cc(F)c(F)cc3n2)C1.
What is the InChIKey of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid?
The InChIKey is CDXQVJQOTXNBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-21-2-3-22(15(23)24)9(8-21)6-19-14-7-18-12-4-10(16)11(17)5-13(12)20-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,19,20)(H,23,24).
What are the key properties of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid?
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 70037628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).