5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone

C19H17N3O3 — CID 16682628

IUPAC5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone
SMILESO=C(c1ccc2c3n(nc2c1)-c1ccccc1CO3)N1CCOCC1
InChIInChI=1S/C19H17N3O3/c23-18(21-7-9-24-10-8-21)13-5-6-15-16(11-13)20-22-17-4-2-1-3-14(17)12-25-19(15)22/h1-6,11H,7-10,12H2
InChIKeyQIOGLIJYNJFTAZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.39
Rot. Bonds1

About 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone

5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone (PubChem CID 16682628) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone
PubChem CID16682628
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone
SMILESO=C(c1ccc2c3n(nc2c1)-c1ccccc1CO3)N1CCOCC1
InChIInChI=1S/C19H17N3O3/c23-18(21-7-9-24-10-8-21)13-5-6-15-16(11-13)20-22-17-4-2-1-3-14(17)12-25-19(15)22/h1-6,11H,7-10,12H2
InChIKeyQIOGLIJYNJFTAZ-UHFFFAOYSA-N
XLogP2.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone?
The IUPAC name of 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone (CID 16682628) is 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone?
The canonical SMILES for 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone is O=C(c1ccc2c3n(nc2c1)-c1ccccc1CO3)N1CCOCC1.
What is the InChIKey of 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone?
The InChIKey is QIOGLIJYNJFTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(21-7-9-24-10-8-21)13-5-6-15-16(11-13)20-22-17-4-2-1-3-14(17)12-25-19(15)22/h1-6,11H,7-10,12H2.
What are the key properties of 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone?
5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone has a molecular weight of 335.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-indazolo[2,3-a][3,1]benzoxazin-9-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 16682628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).