N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine

C16H18ClN3O — CID 22573184

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine
SMILESCOc1cc2nc(NC3CC4CCC3C4)cnc2cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-21-15-7-14-13(6-11(15)17)18-8-16(20-14)19-12-5-9-2-3-10(12)4-9/h6-10,12H,2-5H2,1H3,(H,19,20)
InChIKeyQQAXROQTSUMODR-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.89
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine (PubChem CID 22573184) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine
PubChem CID22573184
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine
SMILESCOc1cc2nc(NC3CC4CCC3C4)cnc2cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-21-15-7-14-13(6-11(15)17)18-8-16(20-14)19-12-5-9-2-3-10(12)4-9/h6-10,12H,2-5H2,1H3,(H,19,20)
InChIKeyQQAXROQTSUMODR-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine (CID 22573184) is N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine is COc1cc2nc(NC3CC4CCC3C4)cnc2cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine?
The InChIKey is QQAXROQTSUMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-21-15-7-14-13(6-11(15)17)18-8-16(20-14)19-12-5-9-2-3-10(12)4-9/h6-10,12H,2-5H2,1H3,(H,19,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine has a molecular weight of 303.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 22573184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).