methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate

C16H18N2O2 — CID 164532925

IUPACmethyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CC(C)(C)C3)cc12
InChIInChI=1S/C16H18N2O2/c1-16(2)9-18(10-16)11-4-5-14-13(8-11)12(6-7-17-14)15(19)20-3/h4-8H,9-10H2,1-3H3
InChIKeyJSKDKFIFJGROKD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.87
Rot. Bonds2

About methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate

methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate (PubChem CID 164532925) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
PubChem CID164532925
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CC(C)(C)C3)cc12
InChIInChI=1S/C16H18N2O2/c1-16(2)9-18(10-16)11-4-5-14-13(8-11)12(6-7-17-14)15(19)20-3/h4-8H,9-10H2,1-3H3
InChIKeyJSKDKFIFJGROKD-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate
CID 175477036
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate
CID 164532584
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
tert-butyl 6-(3,3-dimethyl-1-oxa-6-azaspiro[3.3]heptan-6-yl)quinoline-4-carboxylate
CID 164533128
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 6-propylquinoline-4-carboxylate
CID 102941688
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate
CID 164532573
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate (CID 164532925) is methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate is COC(=O)c1ccnc2ccc(N3CC(C)(C)C3)cc12.
What is the InChIKey of methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate?
The InChIKey is JSKDKFIFJGROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)9-18(10-16)11-4-5-14-13(8-11)12(6-7-17-14)15(19)20-3/h4-8H,9-10H2,1-3H3.
What are the key properties of methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate?
methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 164532925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).