2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide

C18H21F2N3O3 — CID 133260517

IUPAC2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CCOC[C@@H]1Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C18H21F2N3O3/c1-23(2)17(24)10-26-16-4-6-25-9-15(16)22-14-3-5-21-18-12(14)7-11(19)8-13(18)20/h3,5,7-8,15-16H,4,6,9-10H2,1-2H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyUIGMXCPSVJCBJL-JKSUJKDBSA-N
MW365.38 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide

2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide (PubChem CID 133260517) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
PubChem CID133260517
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CCOC[C@@H]1Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C18H21F2N3O3/c1-23(2)17(24)10-26-16-4-6-25-9-15(16)22-14-3-5-21-18-12(14)7-11(19)8-13(18)20/h3,5,7-8,15-16H,4,6,9-10H2,1-2H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyUIGMXCPSVJCBJL-JKSUJKDBSA-N
XLogP2.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide (CID 133260517) is 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)CO[C@@H]1CCOC[C@@H]1Nc1ccnc2c(F)cc(F)cc12.
What is the InChIKey of 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The InChIKey is UIGMXCPSVJCBJL-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-23(2)17(24)10-26-16-4-6-25-9-15(16)22-14-3-5-21-18-12(14)7-11(19)8-13(18)20/h3,5,7-8,15-16H,4,6,9-10H2,1-2H3,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide has a molecular weight of 365.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-[(6,8-difluoroquinolin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 133260517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).