5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

C26H27N3O6 — CID 67330226

IUPAC5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ccc(=O)n(C(CC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)C3CNC3)c2c1
InChIInChI=1S/C26H27N3O6/c1-32-19-5-2-16-3-7-25(30)29(21(16)11-19)22(17-13-27-14-17)12-20-15-28(26(31)35-20)18-4-6-23-24(10-18)34-9-8-33-23/h2-7,10-11,17,20,22,27H,8-9,12-15H2,1H3
InChIKeyXUAXVTNTAQKTAF-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.96
Rot. Bonds6

About 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 67330226) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
PubChem CID67330226
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ccc(=O)n(C(CC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)C3CNC3)c2c1
InChIInChI=1S/C26H27N3O6/c1-32-19-5-2-16-3-7-25(30)29(21(16)11-19)22(17-13-27-14-17)12-20-15-28(26(31)35-20)18-4-6-23-24(10-18)34-9-8-33-23/h2-7,10-11,17,20,22,27H,8-9,12-15H2,1H3
InChIKeyXUAXVTNTAQKTAF-UHFFFAOYSA-N
XLogP2.96
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
CID 66954480
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one
CID 66737251
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide
CID 66953973
(2S)-2-amino-2-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[3-(7-methoxy-2-oxoquinoxalin-1-yl)propanoyl]amino]amino]-3-(7-methoxy-2-oxoquinoxalin-1-yl)propanamide
CID 89284374
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-hydroxy-5-trimethylsilylpent-4-ynyl)-1,3-oxazolidin-2-one
CID 66736524
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2640218
5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67134702
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(2R)-2-hydroxy-3-(2-methoxy-3,4-dihydropyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
CID 68638926
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one
CID 87130204
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 66694734

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (CID 67330226) is 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ccc(=O)n(C(CC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)C3CNC3)c2c1.
What is the InChIKey of 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is XUAXVTNTAQKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-32-19-5-2-16-3-7-25(30)29(21(16)11-19)22(17-13-27-14-17)12-20-15-28(26(31)35-20)18-4-6-23-24(10-18)34-9-8-33-23/h2-7,10-11,17,20,22,27H,8-9,12-15H2,1H3.
What are the key properties of 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 477.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-yl)-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67330226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).