6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine

C12H12F2N4 — CID 67578682

IUPAC6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
SMILESFc1cc2ncc(N[C@@H]3CCNC3)nc2cc1F
InChIInChI=1S/C12H12F2N4/c13-8-3-10-11(4-9(8)14)18-12(6-16-10)17-7-1-2-15-5-7/h3-4,6-7,15H,1-2,5H2,(H,17,18)/t7-/m1/s1
InChIKeyWUCMBVGQIBQJRN-SSDOTTSWSA-N
MW250.25 g/mol
LogP1.68
Rot. Bonds2

About 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine

6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine (PubChem CID 67578682) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
PubChem CID67578682
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
SMILESFc1cc2ncc(N[C@@H]3CCNC3)nc2cc1F
InChIInChI=1S/C12H12F2N4/c13-8-3-10-11(4-9(8)14)18-12(6-16-10)17-7-1-2-15-5-7/h3-4,6-7,15H,1-2,5H2,(H,17,18)/t7-/m1/s1
InChIKeyWUCMBVGQIBQJRN-SSDOTTSWSA-N
XLogP1.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-nitro-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71635770
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 171358910
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine
CID 167986969
N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-amine
CID 112709889
N-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 62814853
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 167869993

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine?
The IUPAC name of 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine (CID 67578682) is 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine.
What is the SMILES notation for 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine?
The canonical SMILES for 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine is Fc1cc2ncc(N[C@@H]3CCNC3)nc2cc1F.
What is the InChIKey of 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine?
The InChIKey is WUCMBVGQIBQJRN-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-8-3-10-11(4-9(8)14)18-12(6-16-10)17-7-1-2-15-5-7/h3-4,6-7,15H,1-2,5H2,(H,17,18)/t7-/m1/s1.
What are the key properties of 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine?
6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 67578682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).