1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide

C22H20N6O2 — CID 70798840

IUPAC1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(C(=O)NC6CC6)C5)nc4c3)ccc2o1
InChIInChI=1S/C22H20N6O2/c23-22-27-18-8-13(2-6-19(18)30-22)12-1-5-16-17(7-12)26-20(9-24-16)28-10-14(11-28)21(29)25-15-3-4-15/h1-2,5-9,14-15H,3-4,10-11H2,(H2,23,27)(H,25,29)
InChIKeySZTQHDBGZTZDLI-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.73
Rot. Bonds4

About 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide

1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide (PubChem CID 70798840) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide
PubChem CID70798840
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(C(=O)NC6CC6)C5)nc4c3)ccc2o1
InChIInChI=1S/C22H20N6O2/c23-22-27-18-8-13(2-6-19(18)30-22)12-1-5-16-17(7-12)26-20(9-24-16)28-10-14(11-28)21(29)25-15-3-4-15/h1-2,5-9,14-15H,3-4,10-11H2,(H2,23,27)(H,25,29)
InChIKeySZTQHDBGZTZDLI-UHFFFAOYSA-N
XLogP2.73
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 144716980
5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716966
(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol
CID 70798709
5-[3-(3-pyrrolidin-1-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798676
5-[3-[3-(4,4-dihydroxypiperazin-4-ium-1-yl)azetidin-1-yl]quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 123394826
[4-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 70798675
5-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798763
5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
CID 54675302
2-(dimethylamino)acetaldehyde;5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716901
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide
CID 177372231
[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 70798533

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide?
The IUPAC name of 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide (CID 70798840) is 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide.
What is the SMILES notation for 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide?
The canonical SMILES for 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide is Nc1nc2cc(-c3ccc4ncc(N5CC(C(=O)NC6CC6)C5)nc4c3)ccc2o1.
What is the InChIKey of 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide?
The InChIKey is SZTQHDBGZTZDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c23-22-27-18-8-13(2-6-19(18)30-22)12-1-5-16-17(7-12)26-20(9-24-16)28-10-14(11-28)21(29)25-15-3-4-15/h1-2,5-9,14-15H,3-4,10-11H2,(H2,23,27)(H,25,29).
What are the key properties of 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide?
1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide is sourced from PubChem (CID 70798840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).