6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine

C23H19N3O3S — CID 67178836

IUPAC6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
SMILESO=S(=O)(c1cccc2cccnc12)N1CCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C23H19N3O3S/c27-30(28,21-10-4-8-18-9-5-12-24-22(18)21)26-14-15-29-23-20(16-26)19(11-13-25-23)17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyPDROTQNCPDXBOK-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.88
Rot. Bonds3

About 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine

6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine (PubChem CID 67178836) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine.

Molecular Properties

Compound Name6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
PubChem CID67178836
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine
SMILESO=S(=O)(c1cccc2cccnc12)N1CCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C23H19N3O3S/c27-30(28,21-10-4-8-18-9-5-12-24-22(18)21)26-14-15-29-23-20(16-26)19(11-13-25-23)17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyPDROTQNCPDXBOK-UHFFFAOYSA-N
XLogP3.88
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
The IUPAC name of 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine (CID 67178836) is 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine.
What is the SMILES notation for 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
The canonical SMILES for 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine is O=S(=O)(c1cccc2cccnc12)N1CCOc2nccc(-c3ccccc3)c2C1.
What is the InChIKey of 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
The InChIKey is PDROTQNCPDXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-30(28,21-10-4-8-18-9-5-12-24-22(18)21)26-14-15-29-23-20(16-26)19(11-13-25-23)17-6-2-1-3-7-17/h1-13H,14-16H2.
What are the key properties of 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine?
6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine has a molecular weight of 417.49 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine is sourced from PubChem (CID 67178836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).