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

C25H25N5O5 — CID 68722344

IUPAC6-[(5R)-5-[[azetidin-3-yl-(6-methoxyquinolin-4-yl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2nccc(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)C3CNC3)c2c1
InChIInChI=1S/C25H25N5O5/c1-33-17-3-4-20-19(9-17)22(6-7-27-20)29(16-10-26-11-16)12-18-13-30(25(32)35-18)15-2-5-23-21(8-15)28-24(31)14-34-23/h2-9,16,18,26H,10-14H2,1H3,(H,28,31)/t18-/m1/s1
InChIKeyDNFJJVCEUVJORR-GOSISDBHSA-N
MW475.51 g/mol
LogP2.38
Rot. Bonds6

About 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

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 (PubChem CID 68722344) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(5R)-5-[[azetidin-3-yl-(6-methoxyquinolin-4-yl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
PubChem CID68722344
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name6-[(5R)-5-[[azetidin-3-yl-(6-methoxyquinolin-4-yl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2nccc(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)C3CNC3)c2c1
InChIInChI=1S/C25H25N5O5/c1-33-17-3-4-20-19(9-17)22(6-7-27-20)29(16-10-26-11-16)12-18-13-30(25(32)35-18)15-2-5-23-21(8-15)28-24(31)14-34-23/h2-9,16,18,26H,10-14H2,1H3,(H,28,31)/t18-/m1/s1
InChIKeyDNFJJVCEUVJORR-GOSISDBHSA-N
XLogP2.38
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 68721402
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-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66736971
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
5-[[[1-(6-methoxyquinolin-4-yl)pyrrolidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954550
[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 87130130
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
(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 150982931
(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
6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737212
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
(5S)-5-[[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954528

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2nccc(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)C3CNC3)c2c1.
What is the InChIKey of 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?
The InChIKey is DNFJJVCEUVJORR-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-33-17-3-4-20-19(9-17)22(6-7-27-20)29(16-10-26-11-16)12-18-13-30(25(32)35-18)15-2-5-23-21(8-15)28-24(31)14-34-23/h2-9,16,18,26H,10-14H2,1H3,(H,28,31)/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 475.51 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68722344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).