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

C22H21FN6O2 — CID 70798735

IUPAC6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4c3)c(F)cc2o1
InChIInChI=1S/C22H21FN6O2/c23-16-9-20-19(27-22(24)31-20)8-15(16)13-1-2-17-18(7-13)26-21(10-25-17)29-11-14(12-29)28-3-5-30-6-4-28/h1-2,7-10,14H,3-6,11-12H2,(H2,24,27)
InChIKeyAODMRPKOCGVQGE-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.68
Rot. Bonds3

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

6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798735) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798735
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4c3)c(F)cc2o1
InChIInChI=1S/C22H21FN6O2/c23-16-9-20-19(27-22(24)31-20)8-15(16)13-1-2-17-18(7-13)26-21(10-25-17)29-11-14(12-29)28-3-5-30-6-4-28/h1-2,7-10,14H,3-6,11-12H2,(H2,24,27)
InChIKeyAODMRPKOCGVQGE-UHFFFAOYSA-N
XLogP2.68
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (CID 70798735) is 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4c3)c(F)cc2o1.
What is the InChIKey of 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is AODMRPKOCGVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c23-16-9-20-19(27-22(24)31-20)8-15(16)13-1-2-17-18(7-13)26-21(10-25-17)29-11-14(12-29)28-3-5-30-6-4-28/h1-2,7-10,14H,3-6,11-12H2,(H2,24,27).
What are the key properties of 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 420.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).