8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine

C17H19N3O — CID 125494862

IUPAC8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
SMILESc1cnc2c(c1)CNc1cc([C@H]3CCCOC3)ccc1N2
InChIInChI=1S/C17H19N3O/c1-3-13-10-19-16-9-12(14-4-2-8-21-11-14)5-6-15(16)20-17(13)18-7-1/h1,3,5-7,9,14,19H,2,4,8,10-11H2,(H,18,20)/t14-/m0/s1
InChIKeyHFWLQFMIDJMPQF-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.64
Rot. Bonds1

About 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine

8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine (PubChem CID 125494862) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine.

Molecular Properties

Compound Name8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
PubChem CID125494862
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
SMILESc1cnc2c(c1)CNc1cc([C@H]3CCCOC3)ccc1N2
InChIInChI=1S/C17H19N3O/c1-3-13-10-19-16-9-12(14-4-2-8-21-11-14)5-6-15(16)20-17(13)18-7-1/h1,3,5-7,9,14,19H,2,4,8,10-11H2,(H,18,20)/t14-/m0/s1
InChIKeyHFWLQFMIDJMPQF-AWEZNQCLSA-N
XLogP3.64
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
The IUPAC name of 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine (CID 125494862) is 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine.
What is the SMILES notation for 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
The canonical SMILES for 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine is c1cnc2c(c1)CNc1cc([C@H]3CCCOC3)ccc1N2.
What is the InChIKey of 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
The InChIKey is HFWLQFMIDJMPQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-13-10-19-16-9-12(14-4-2-8-21-11-14)5-6-15(16)20-17(13)18-7-1/h1,3,5-7,9,14,19H,2,4,8,10-11H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine has a molecular weight of 281.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine is sourced from PubChem (CID 125494862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).