tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate

C20H24N2O3 — CID 164532886

IUPACtert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate
SMILESC[C@H]1CCCN(c2ccc3nccc(C(=O)OC(C)(C)C)c3c2)C1=O
InChIInChI=1S/C20H24N2O3/c1-13-6-5-11-22(18(13)23)14-7-8-17-16(12-14)15(9-10-21-17)19(24)25-20(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m0/s1
InChIKeyFJWXXKZVPSAABX-ZDUSSCGKSA-N
MW340.42 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate

tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate (PubChem CID 164532886) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate
PubChem CID164532886
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate
SMILESC[C@H]1CCCN(c2ccc3nccc(C(=O)OC(C)(C)C)c3c2)C1=O
InChIInChI=1S/C20H24N2O3/c1-13-6-5-11-22(18(13)23)14-7-8-17-16(12-14)15(9-10-21-17)19(24)25-20(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m0/s1
InChIKeyFJWXXKZVPSAABX-ZDUSSCGKSA-N
XLogP3.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
CID 164533103
tert-butyl 6-[(2S)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
CID 164532802
tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate
CID 164532573
tert-butyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)quinoline-4-carboxylate
CID 167118413
tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532532
tert-butyl 6-(3,3-dimethyl-1-oxa-6-azaspiro[3.3]heptan-6-yl)quinoline-4-carboxylate
CID 164533128
tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532834
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
tert-butyl 6-[(6-methyloxepan-3-yl)amino]quinoline-4-carboxylate
CID 167118358
methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
CID 164532925
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]quinoline-4-carboxylate
CID 176864084
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate?
The IUPAC name of tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate (CID 164532886) is tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate is C[C@H]1CCCN(c2ccc3nccc(C(=O)OC(C)(C)C)c3c2)C1=O.
What is the InChIKey of tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate?
The InChIKey is FJWXXKZVPSAABX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-6-5-11-22(18(13)23)14-7-8-17-16(12-14)15(9-10-21-17)19(24)25-20(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate?
tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate is sourced from PubChem (CID 164532886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).