methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate

C18H20N2O3 — CID 170940657

IUPACmethyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N3CCC34CCOCC4)ccc2c1
InChIInChI=1S/C18H20N2O3/c1-22-17(21)14-2-4-15-13(12-14)3-5-16(19-15)20-9-6-18(20)7-10-23-11-8-18/h2-5,12H,6-11H2,1H3
InChIKeyUKTNQKUYKZOAOB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds2

About methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate

methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate (PubChem CID 170940657) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate
PubChem CID170940657
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N3CCC34CCOCC4)ccc2c1
InChIInChI=1S/C18H20N2O3/c1-22-17(21)14-2-4-15-13(12-14)3-5-16(19-15)20-9-6-18(20)7-10-23-11-8-18/h2-5,12H,6-11H2,1H3
InChIKeyUKTNQKUYKZOAOB-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(1S,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxylate
CID 170940616
methyl 2-tert-butylquinoline-6-carboxylate
CID 57458162
methyl 4-[[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]methyl]benzoate
CID 124626482
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
methyl 2-methylsulfonylquinoline-6-carboxylate;(2-methylsulfonylquinolin-6-yl)methanol;oxolane
CID 159187686
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate?
The IUPAC name of methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate (CID 170940657) is methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate?
The canonical SMILES for methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate is COC(=O)c1ccc2nc(N3CCC34CCOCC4)ccc2c1.
What is the InChIKey of methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate?
The InChIKey is UKTNQKUYKZOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17(21)14-2-4-15-13(12-14)3-5-16(19-15)20-9-6-18(20)7-10-23-11-8-18/h2-5,12H,6-11H2,1H3.
What are the key properties of methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate?
methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-oxa-1-azaspiro[3.5]nonan-1-yl)quinoline-6-carboxylate is sourced from PubChem (CID 170940657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).