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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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).