(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone

C24H26N4O2 — CID 134072815

About (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone

(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone (PubChem CID 134072815) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone.

Molecular Properties

• Compound Name: (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
• PubChem CID: 134072815
• Molecular Formula: C24H26N4O2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.21
• IUPAC Name: (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
• SMILES: O=C(c1cccc2cccnc12)N1CCCC2(COCCN(c3cccnc3)C2)C1
• InChI: InChI=1S/C24H26N4O2/c29-23(21-8-1-5-19-6-2-11-26-22(19)21)28-12-4-9-24(17-28)16-27(13-14-30-18-24)20-7-3-10-25-15-20/h1-3,5-8,10-11,15H,4,9,12-14,16-18H2
• InChIKey: RRZQGRJVHXWURR-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone?

The IUPAC name of (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone (CID 134072815) is (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone.

What is the SMILES notation for (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone?

The canonical SMILES for (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)N1CCCC2(COCCN(c3cccnc3)C2)C1.

What is the InChIKey of (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone?

The InChIKey is RRZQGRJVHXWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(21-8-1-5-19-6-2-11-26-22(19)21)28-12-4-9-24(17-28)16-27(13-14-30-18-24)20-7-3-10-25-15-20/h1-3,5-8,10-11,15H,4,9,12-14,16-18H2.

What are the key properties of (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone?

(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 134072815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).