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

Analyze methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-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 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate
CID 175477036
methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
CID 164532925
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
tert-butyl 6-(3,3-dimethyl-1-oxa-6-azaspiro[3.3]heptan-6-yl)quinoline-4-carboxylate
CID 164533128
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate
CID 157044241
4-prop-1-en-2-yl-6-pyrrolidin-1-ylquinoline
CID 167118363
methyl 2-amino-5-(8-azaspiro[4.5]decan-8-yl)benzoate
CID 63161957

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).