N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine

C18H23N3O2 — CID 67019182

IUPACN-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine
SMILESCOc1cc2ncc(N[C@@H]3C[C@@H]4CCC[C@H]3C4)nc2cc1OC
InChIInChI=1S/C18H23N3O2/c1-22-16-8-14-15(9-17(16)23-2)21-18(10-19-14)20-13-7-11-4-3-5-12(13)6-11/h8-13H,3-7H2,1-2H3,(H,20,21)/t11-,12+,13-/m1/s1
InChIKeyZBVVPQSGFITCFF-FRRDWIJNSA-N
MW313.40 g/mol
LogP3.64
Rot. Bonds4

About N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine

N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine (PubChem CID 67019182) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine
PubChem CID67019182
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine
SMILESCOc1cc2ncc(N[C@@H]3C[C@@H]4CCC[C@H]3C4)nc2cc1OC
InChIInChI=1S/C18H23N3O2/c1-22-16-8-14-15(9-17(16)23-2)21-18(10-19-14)20-13-7-11-4-3-5-12(13)6-11/h8-13H,3-7H2,1-2H3,(H,20,21)/t11-,12+,13-/m1/s1
InChIKeyZBVVPQSGFITCFF-FRRDWIJNSA-N
XLogP3.64
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine?
The IUPAC name of N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine (CID 67019182) is N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine.
What is the SMILES notation for N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine?
The canonical SMILES for N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine is COc1cc2ncc(N[C@@H]3C[C@@H]4CCC[C@H]3C4)nc2cc1OC.
What is the InChIKey of N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine?
The InChIKey is ZBVVPQSGFITCFF-FRRDWIJNSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-16-8-14-15(9-17(16)23-2)21-18(10-19-14)20-13-7-11-4-3-5-12(13)6-11/h8-13H,3-7H2,1-2H3,(H,20,21)/t11-,12+,13-/m1/s1.
What are the key properties of N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine?
N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R)-6-bicyclo[3.2.1]octanyl]-6,7-dimethoxyquinoxalin-2-amine is sourced from PubChem (CID 67019182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).