cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol

C14H17N3O2 — CID 54029297

IUPACcis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol
SMILESCOc1ccc2nc(N[C@H]3CCC[C@H]3O)cnc2c1
InChIInChI=1S/C14H17N3O2/c1-19-9-5-6-10-12(7-9)15-8-14(16-10)17-11-3-2-4-13(11)18/h5-8,11,13,18H,2-4H2,1H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyLEKSQWIUIYKHKY-WCQYABFASA-N
MW259.31 g/mol
LogP1.96
Rot. Bonds3

About cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol

cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol (PubChem CID 54029297) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol
PubChem CID54029297
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namecis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol
SMILESCOc1ccc2nc(N[C@H]3CCC[C@H]3O)cnc2c1
InChIInChI=1S/C14H17N3O2/c1-19-9-5-6-10-12(7-9)15-8-14(16-10)17-11-3-2-4-13(11)18/h5-8,11,13,18H,2-4H2,1H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyLEKSQWIUIYKHKY-WCQYABFASA-N
XLogP1.96
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol (CID 54029297) is cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol is COc1ccc2nc(N[C@H]3CCC[C@H]3O)cnc2c1.
What is the InChIKey of cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol?
The InChIKey is LEKSQWIUIYKHKY-WCQYABFASA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-9-5-6-10-12(7-9)15-8-14(16-10)17-11-3-2-4-13(11)18/h5-8,11,13,18H,2-4H2,1H3,(H,16,17)/t11-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol?
cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(6-methoxyquinoxalin-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 54029297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).