methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate

C19H20F2N2O3 — CID 166552523

IUPACmethyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(N3CCC4(CC3)CC4)cc(OC(F)F)cc2c1
InChIInChI=1S/C19H20F2N2O3/c1-25-17(24)13-8-12-9-14(26-18(20)21)10-15(16(12)22-11-13)23-6-4-19(2-3-19)5-7-23/h8-11,18H,2-7H2,1H3
InChIKeyGKZINMQFPGXHHD-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.00
Rot. Bonds4

About methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate

methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate (PubChem CID 166552523) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate
PubChem CID166552523
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Namemethyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(N3CCC4(CC3)CC4)cc(OC(F)F)cc2c1
InChIInChI=1S/C19H20F2N2O3/c1-25-17(24)13-8-12-9-14(26-18(20)21)10-15(16(12)22-11-13)23-6-4-19(2-3-19)5-7-23/h8-11,18H,2-7H2,1H3
InChIKeyGKZINMQFPGXHHD-UHFFFAOYSA-N
XLogP4.00
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate with MolForge

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Related Compounds

8-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[(2R)-1-hydroxypropan-2-yl]-6-methoxyquinoline-3-carboxamide
CID 166552529
methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
CID 129247510
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
methyl 1-[3-(difluoromethoxy)phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 163242217
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
CID 130094865
methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate
CID 118659752
methyl 4-(6-azaspiro[2.5]octan-6-yl)-2-chloropyridine-3-carboxylate
CID 176899046
methyl 1-iodopyrrolo[2,3-b]pyridine-5-carboxylate
CID 141347109
methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate
CID 118435622
methyl 6-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylate
CID 172868881
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118

Frequently Asked Questions

What is the IUPAC name of methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate?
The IUPAC name of methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate (CID 166552523) is methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate.
What is the SMILES notation for methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate?
The canonical SMILES for methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate is COC(=O)c1cnc2c(N3CCC4(CC3)CC4)cc(OC(F)F)cc2c1.
What is the InChIKey of methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate?
The InChIKey is GKZINMQFPGXHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-25-17(24)13-8-12-9-14(26-18(20)21)10-15(16(12)22-11-13)23-6-4-19(2-3-19)5-7-23/h8-11,18H,2-7H2,1H3.
What are the key properties of methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate?
methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate is sourced from PubChem (CID 166552523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).