5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

C22H23N7O2 — CID 70798491

IUPAC5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nc(N)c(N5CC(N6CCOCC6)C5)nc4c3)ccc2o1
InChIInChI=1S/C22H23N7O2/c23-20-21(29-11-15(12-29)28-5-7-30-8-6-28)26-17-9-13(1-3-16(17)25-20)14-2-4-19-18(10-14)27-22(24)31-19/h1-4,9-10,15H,5-8,11-12H2,(H2,23,25)(H2,24,27)
InChIKeyZHGVWCYSVRINFL-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.12
Rot. Bonds3

About 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798491) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798491
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nc(N)c(N5CC(N6CCOCC6)C5)nc4c3)ccc2o1
InChIInChI=1S/C22H23N7O2/c23-20-21(29-11-15(12-29)28-5-7-30-8-6-28)26-17-9-13(1-3-16(17)25-20)14-2-4-19-18(10-14)27-22(24)31-19/h1-4,9-10,15H,5-8,11-12H2,(H2,23,25)(H2,24,27)
InChIKeyZHGVWCYSVRINFL-UHFFFAOYSA-N
XLogP2.12
TPSA119.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (CID 70798491) is 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4nc(N)c(N5CC(N6CCOCC6)C5)nc4c3)ccc2o1.
What is the InChIKey of 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is ZHGVWCYSVRINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c23-20-21(29-11-15(12-29)28-5-7-30-8-6-28)26-17-9-13(1-3-16(17)25-20)14-2-4-19-18(10-14)27-22(24)31-19/h1-4,9-10,15H,5-8,11-12H2,(H2,23,25)(H2,24,27).
What are the key properties of 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 417.47 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).