2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one

C25H35N3O3 — CID 146627408

IUPAC2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCC1CC2CCC(C1)N2CCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C25H35N3O3/c29-24-11-8-20-6-1-2-7-23(20)27(24)14-4-13-26-21-9-10-22(26)18-19(17-21)5-3-15-28-25(30)12-16-31-28/h1-2,6-7,19,21-22H,3-5,8-18H2
InChIKeyZRJOKABUCNGITB-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.54
Rot. Bonds8

About 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one

2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one (PubChem CID 146627408) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one
PubChem CID146627408
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCC1CC2CCC(C1)N2CCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C25H35N3O3/c29-24-11-8-20-6-1-2-7-23(20)27(24)14-4-13-26-21-9-10-22(26)18-19(17-21)5-3-15-28-25(30)12-16-31-28/h1-2,6-7,19,21-22H,3-5,8-18H2
InChIKeyZRJOKABUCNGITB-UHFFFAOYSA-N
XLogP3.54
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one (CID 146627408) is 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one is O=C1CCON1CCCC1CC2CCC(C1)N2CCCN1C(=O)CCc2ccccc21.
What is the InChIKey of 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one?
The InChIKey is ZRJOKABUCNGITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c29-24-11-8-20-6-1-2-7-23(20)27(24)14-4-13-26-21-9-10-22(26)18-19(17-21)5-3-15-28-25(30)12-16-31-28/h1-2,6-7,19,21-22H,3-5,8-18H2.
What are the key properties of 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one?
2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one has a molecular weight of 425.57 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 146627408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).