8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C20H20ClN5O2 — CID 15107501

About 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 15107501) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

• Compound Name: 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
• PubChem CID: 15107501
• Molecular Formula: C20H20ClN5O2
• Molecular Weight: 397.87 g/mol
• Exact Mass: 397.13
• IUPAC Name: 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
• SMILES: CN1CC2(CCN(C(=O)N3c4ccc(Cl)cc4C(=O)Nc4cccnc43)C2)C1
• InChI: InChI=1S/C20H20ClN5O2/c1-24-10-20(11-24)6-8-25(12-20)19(28)26-16-5-4-13(21)9-14(16)18(27)23-15-3-2-7-22-17(15)26/h2-5,7,9H,6,8,10-12H2,1H3,(H,23,27)
• InChIKey: MDUNZNDGOVCBMB-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 68.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.87
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?

The IUPAC name of 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 15107501) is 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

What is the SMILES notation for 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?

The canonical SMILES for 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN1CC2(CCN(C(=O)N3c4ccc(Cl)cc4C(=O)Nc4cccnc43)C2)C1.

What is the InChIKey of 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?

The InChIKey is MDUNZNDGOVCBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-24-10-20(11-24)6-8-25(12-20)19(28)26-16-5-4-13(21)9-14(16)18(27)23-15-3-2-7-22-17(15)26/h2-5,7,9H,6,8,10-12H2,1H3,(H,23,27).

What are the key properties of 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?

8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 397.87 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-11-(2-methyl-2,6-diazaspiro[3.4]octane-6-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 15107501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).