3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one

C27H36N6O3 — CID 1159904

About 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one

3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 1159904) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
• PubChem CID: 1159904
• Molecular Formula: C27H36N6O3
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.28
• IUPAC Name: 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
• SMILES: COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1
• InChI: InChI=1S/C27H36N6O3/c1-35-20-9-8-19-15-22(26(34)28-23(19)16-20)24(25-29-30-31-33(25)17-21-7-5-14-36-21)32-13-6-12-27(18-32)10-3-2-4-11-27/h8-9,15-16,21,24H,2-7,10-14,17-18H2,1H3,(H,28,34)/t21-,24-/m1/s1
• InChIKey: FVBYQCKUVXLNDE-ZJSXRUAMSA-N
• XLogP: 3.84
• TPSA: 98.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one?

The IUPAC name of 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one (CID 1159904) is 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one.

What is the SMILES notation for 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one?

The canonical SMILES for 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1.

What is the InChIKey of 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one?

The InChIKey is FVBYQCKUVXLNDE-ZJSXRUAMSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-35-20-9-8-19-15-22(26(34)28-23(19)16-20)24(25-29-30-31-33(25)17-21-7-5-14-36-21)32-13-6-12-27(18-32)10-3-2-4-11-27/h8-9,15-16,21,24H,2-7,10-14,17-18H2,1H3,(H,28,34)/t21-,24-/m1/s1.

What are the key properties of 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one?

3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 492.62 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-2-azaspiro[5.5]undecan-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 1159904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).