methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate

C18H20N2O3 — CID 164532584

IUPACmethyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCC4(CC3)COC4)cc12
InChIInChI=1S/C18H20N2O3/c1-22-17(21)14-4-7-19-16-3-2-13(10-15(14)16)20-8-5-18(6-9-20)11-23-12-18/h2-4,7,10H,5-6,8-9,11-12H2,1H3
InChIKeyDZLMQGKOJIQQFX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.64
Rot. Bonds2

About methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate

methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate (PubChem CID 164532584) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate
PubChem CID164532584
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCC4(CC3)COC4)cc12
InChIInChI=1S/C18H20N2O3/c1-22-17(21)14-4-7-19-16-3-2-13(10-15(14)16)20-8-5-18(6-9-20)11-23-12-18/h2-4,7,10H,5-6,8-9,11-12H2,1H3
InChIKeyDZLMQGKOJIQQFX-UHFFFAOYSA-N
XLogP2.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate (CID 164532584) is methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate is COC(=O)c1ccnc2ccc(N3CCC4(CC3)COC4)cc12.
What is the InChIKey of methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate?
The InChIKey is DZLMQGKOJIQQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17(21)14-4-7-19-16-3-2-13(10-15(14)16)20-8-5-18(6-9-20)11-23-12-18/h2-4,7,10H,5-6,8-9,11-12H2,1H3.
What are the key properties of methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate?
methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate is sourced from PubChem (CID 164532584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).