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

C22H21FN6O2 — CID 70798748

IUPAC7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4c3)cc(F)c2o1
InChIInChI=1S/C22H21FN6O2/c23-16-7-14(9-19-21(16)31-22(24)27-19)13-1-2-17-18(8-13)26-20(10-25-17)29-11-15(12-29)28-3-5-30-6-4-28/h1-2,7-10,15H,3-6,11-12H2,(H2,24,27)
InChIKeyVTTFCUAKAWURIM-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.68
Rot. Bonds3

About 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798748) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798748
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4c3)cc(F)c2o1
InChIInChI=1S/C22H21FN6O2/c23-16-7-14(9-19-21(16)31-22(24)27-19)13-1-2-17-18(8-13)26-20(10-25-17)29-11-15(12-29)28-3-5-30-6-4-28/h1-2,7-10,15H,3-6,11-12H2,(H2,24,27)
InChIKeyVTTFCUAKAWURIM-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

Analyze 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

Serabelisib
CID 70798655
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
4-(1,3-benzoxazol-7-yl)-1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]butan-1-one
CID 162668909
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10022345
N-[4-fluoro-3-(2-morpholin-4-ylfuro[2,3-b]pyrazin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 168271535
5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine
CID 45279553
US10172858, Table 1.9
CID 46195249
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 50991340
N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine
CID 68657958
5-[3-(4,4-Difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
CID 70648859
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone
CID 70798436
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methanone
CID 70798444

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (CID 70798748) is 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4c3)cc(F)c2o1.
What is the InChIKey of 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is VTTFCUAKAWURIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c23-16-7-14(9-19-21(16)31-22(24)27-19)13-1-2-17-18(8-13)26-20(10-25-17)29-11-15(12-29)28-3-5-30-6-4-28/h1-2,7-10,15H,3-6,11-12H2,(H2,24,27).
What are the key properties of 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
7-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 7-fluoro-5-[3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).