3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine

C16H21N3O2 — CID 139926062

IUPAC3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine
SMILESCOc1cc2ncc(C3CCCC(N)C3)nc2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-15-7-12-13(8-16(15)21-2)19-14(9-18-12)10-4-3-5-11(17)6-10/h7-11H,3-6,17H2,1-2H3
InChIKeyONXGUVURJXXMCA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds3

About 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine

3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine (PubChem CID 139926062) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine
PubChem CID139926062
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine
SMILESCOc1cc2ncc(C3CCCC(N)C3)nc2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-15-7-12-13(8-16(15)21-2)19-14(9-18-12)10-4-3-5-11(17)6-10/h7-11H,3-6,17H2,1-2H3
InChIKeyONXGUVURJXXMCA-UHFFFAOYSA-N
XLogP2.63
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine (CID 139926062) is 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine is COc1cc2ncc(C3CCCC(N)C3)nc2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine?
The InChIKey is ONXGUVURJXXMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-15-7-12-13(8-16(15)21-2)19-14(9-18-12)10-4-3-5-11(17)6-10/h7-11H,3-6,17H2,1-2H3.
What are the key properties of 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine?
3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxyquinoxalin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 139926062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).