tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate

C20H27FN2O6 — CID 138677562

IUPACtert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](O)(COc2ccc(F)c3c2CCC(=O)N3)[C@@H](O)C1
InChIInChI=1S/C20H27FN2O6/c1-19(2,3)29-18(26)23-9-8-20(27,15(24)10-23)11-28-14-6-5-13(21)17-12(14)4-7-16(25)22-17/h5-6,15,24,27H,4,7-11H2,1-3H3,(H,22,25)/t15-,20-/m0/s1
InChIKeyVQQLVERRCBXRJB-YWZLYKJASA-N
MW410.44 g/mol
LogP1.82
Rot. Bonds3

About tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate

tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate (PubChem CID 138677562) has the molecular formula C20H27FN2O6 and a molecular weight of 410.44 g/mol. Its IUPAC name is tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate
PubChem CID138677562
Molecular FormulaC20H27FN2O6
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Nametert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](O)(COc2ccc(F)c3c2CCC(=O)N3)[C@@H](O)C1
InChIInChI=1S/C20H27FN2O6/c1-19(2,3)29-18(26)23-9-8-20(27,15(24)10-23)11-28-14-6-5-13(21)17-12(14)4-7-16(25)22-17/h5-6,15,24,27H,4,7-11H2,1-3H3,(H,22,25)/t15-,20-/m0/s1
InChIKeyVQQLVERRCBXRJB-YWZLYKJASA-N
XLogP1.82
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-[[(3R,4R)-1-(2-cyclopropylacetyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 175894702
5-[[(3R,4R)-1-(2,4-dichloro-6-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904605
tert-butyl (3R,4R)-4-[[8-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate
CID 140808519
(1S,6S)-6-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 118904728
8-bromo-5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904960
5-[[(3R,4R)-1-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 118904261
[1-(5-chloro-3-fluoro-2-pyridinyl)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-4-hydroxypiperidin-3-yl] acetate
CID 118903966
8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 118903860
5-[[3-amino-1-(3,5-dichloro-2-pyridinyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904651
5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904023
(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate
CID 151634733
5-[[(3R,4R)-1-(4-bromo-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-chloro-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904012

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate (CID 138677562) is tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@](O)(COc2ccc(F)c3c2CCC(=O)N3)[C@@H](O)C1.
What is the InChIKey of tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate?
The InChIKey is VQQLVERRCBXRJB-YWZLYKJASA-N. The full InChI is InChI=1S/C20H27FN2O6/c1-19(2,3)29-18(26)23-9-8-20(27,15(24)10-23)11-28-14-6-5-13(21)17-12(14)4-7-16(25)22-17/h5-6,15,24,27H,4,7-11H2,1-3H3,(H,22,25)/t15-,20-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate?
tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate has a molecular weight of 410.44 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate is sourced from PubChem (CID 138677562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).