8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen

C18H24N4O — CID 145094752

About 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen

8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen (PubChem CID 145094752) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen.

Molecular Properties

• Compound Name: 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen
• PubChem CID: 145094752
• Molecular Formula: C18H24N4O
• Molecular Weight: 312.42 g/mol
• Exact Mass: 312.20
• IUPAC Name: 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen
• SMILES: [H][H].[H][H].c1cnc2c(c1)CNc1cc(N3C4CCC3COC4)ccc1N2
• InChI: InChI=1S/C18H20N4O.2H2/c1-2-12-9-20-17-8-13(5-6-16(17)21-18(12)19-7-1)22-14-3-4-15(22)11-23-10-14;;/h1-2,5-8,14-15,20H,3-4,9-11H2,(H,19,21);2*1H
• InChIKey: OUTQDWBSYLEDTF-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 49.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.42
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen?

The IUPAC name of 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen (CID 145094752) is 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen.

What is the SMILES notation for 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen?

The canonical SMILES for 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen is [H][H].[H][H].c1cnc2c(c1)CNc1cc(N3C4CCC3COC4)ccc1N2.

What is the InChIKey of 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen?

The InChIKey is OUTQDWBSYLEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.2H2/c1-2-12-9-20-17-8-13(5-6-16(17)21-18(12)19-7-1)22-14-3-4-15(22)11-23-10-14;;/h1-2,5-8,14-15,20H,3-4,9-11H2,(H,19,21);2*1H.

What are the key properties of 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen?

8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen has a molecular weight of 312.42 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen is sourced from PubChem (CID 145094752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).