6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C25H25FN6O5 — CID 66954463

IUPAC6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2ncc(F)c(N3CC(N(C)CC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)C3)c2n1
InChIInChI=1S/C25H25FN6O5/c1-30(15-9-31(10-15)24-17(26)8-27-18-4-6-22(35-2)29-23(18)24)11-16-12-32(25(34)37-16)14-3-5-20-19(7-14)28-21(33)13-36-20/h3-8,15-16H,9-13H2,1-2H3,(H,28,33)
InChIKeyXRXPENMUFSCSEF-UHFFFAOYSA-N
MW508.51 g/mol
LogP2.25
Rot. Bonds6

About 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 66954463) has the molecular formula C25H25FN6O5 and a molecular weight of 508.51 g/mol. Its IUPAC name is 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
PubChem CID66954463
Molecular FormulaC25H25FN6O5
Molecular Weight508.51 g/mol
Exact Mass508.19
IUPAC Name6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2ncc(F)c(N3CC(N(C)CC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)C3)c2n1
InChIInChI=1S/C25H25FN6O5/c1-30(15-9-31(10-15)24-17(26)8-27-18-4-6-22(35-2)29-23(18)24)11-16-12-32(25(34)37-16)14-3-5-20-19(7-14)28-21(33)13-36-20/h3-8,15-16H,9-13H2,1-2H3,(H,28,33)
InChIKeyXRXPENMUFSCSEF-UHFFFAOYSA-N
XLogP2.25
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954723
6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954724
6-[(5S)-5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737308
6-[5-[3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737926
6-[(5R)-5-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737866
6-[5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954697
6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 25115097
6-[(5R)-5-[[[(9S)-2-methoxy-9,10-dihydro-8H-pyrano[2,3-h]quinolin-9-yl]methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67223039
(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
CID 66953797
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one
CID 66737678
(5S)-5-[2-[[(9S)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 71111314
6-[(5R)-5-[[azetidin-3-yl-(6-methoxyquinolin-4-yl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 68722344

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 66954463) is 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is COc1ccc2ncc(F)c(N3CC(N(C)CC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)C3)c2n1.
What is the InChIKey of 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is XRXPENMUFSCSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O5/c1-30(15-9-31(10-15)24-17(26)8-27-18-4-6-22(35-2)29-23(18)24)11-16-12-32(25(34)37-16)14-3-5-20-19(7-14)28-21(33)13-36-20/h3-8,15-16H,9-13H2,1-2H3,(H,28,33).
What are the key properties of 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 508.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66954463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).