7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

C22H18FN3O2 — CID 122622623

IUPAC7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
SMILESCOc1ncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)COC4)cc1F
InChIInChI=1S/C22H18FN3O2/c1-27-22-17(23)9-16(11-24-22)15-7-8-18-19(10-15)26-20(12-28-13-21(26)25-18)14-5-3-2-4-6-14/h2-11,20H,12-13H2,1H3
InChIKeyPVTAQQURIZPEKR-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.37
Rot. Bonds3

About 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole (PubChem CID 122622623) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole.

Molecular Properties

Compound Name7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
PubChem CID122622623
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
SMILESCOc1ncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)COC4)cc1F
InChIInChI=1S/C22H18FN3O2/c1-27-22-17(23)9-16(11-24-22)15-7-8-18-19(10-15)26-20(12-28-13-21(26)25-18)14-5-3-2-4-6-14/h2-11,20H,12-13H2,1H3
InChIKeyPVTAQQURIZPEKR-UHFFFAOYSA-N
XLogP4.37
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The IUPAC name of 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole (CID 122622623) is 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole.
What is the SMILES notation for 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The canonical SMILES for 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole is COc1ncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)COC4)cc1F.
What is the InChIKey of 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The InChIKey is PVTAQQURIZPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-27-22-17(23)9-16(11-24-22)15-7-8-18-19(10-15)26-20(12-28-13-21(26)25-18)14-5-3-2-4-6-14/h2-11,20H,12-13H2,1H3.
What are the key properties of 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole has a molecular weight of 375.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole is sourced from PubChem (CID 122622623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).