5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C25H24FN5O4S — CID 66953875

IUPAC5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ccc(F)c(N3CC(NCC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2n1
InChIInChI=1S/C25H24FN5O4S/c1-34-22-7-3-14-2-5-18(26)24(23(14)29-22)30-10-15(11-30)27-9-17-12-31(25(33)35-17)16-4-6-20-19(8-16)28-21(32)13-36-20/h2-8,15,17,27H,9-13H2,1H3,(H,28,32)
InChIKeyMUUZZGIYYNHKLX-UHFFFAOYSA-N
MW509.56 g/mol
LogP3.23
Rot. Bonds6

About 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 66953875) has the molecular formula C25H24FN5O4S and a molecular weight of 509.56 g/mol. Its IUPAC name is 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID66953875
Molecular FormulaC25H24FN5O4S
Molecular Weight509.56 g/mol
Exact Mass509.15
IUPAC Name5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ccc(F)c(N3CC(NCC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2n1
InChIInChI=1S/C25H24FN5O4S/c1-34-22-7-3-14-2-5-18(26)24(23(14)29-22)30-10-15(11-30)27-9-17-12-31(25(33)35-17)16-4-6-20-19(8-16)28-21(32)13-36-20/h2-8,15,17,27H,9-13H2,1H3,(H,28,32)
InChIKeyMUUZZGIYYNHKLX-UHFFFAOYSA-N
XLogP3.23
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-5-[[[(3R)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096186
(5R)-5-[[[(3S,4S)-4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954089
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66736403
(5R)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096691
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
(2S)-2-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737319
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
(5R)-5-[[(2-methoxy-7,8,9,10-tetrahydropyrido[2,3-c][1,5]naphthyridin-9-yl)methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 44633948
(5S)-5-[[2-[(9S)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67223323
5-[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)ethylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67223044
ethyl (3S,4R)-1-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]pyrrolidine-3-carboxylate
CID 66954516
ethyl (3S,4R)-1-(6-methoxy-1,5-naphthyridin-4-yl)-4-[[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]pyrrolidine-3-carboxylate
CID 66954515

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 66953875) is 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ccc(F)c(N3CC(NCC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2n1.
What is the InChIKey of 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is MUUZZGIYYNHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4S/c1-34-22-7-3-14-2-5-18(26)24(23(14)29-22)30-10-15(11-30)27-9-17-12-31(25(33)35-17)16-4-6-20-19(8-16)28-21(32)13-36-20/h2-8,15,17,27H,9-13H2,1H3,(H,28,32).
What are the key properties of 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 509.56 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(7-fluoro-2-methoxyquinolin-8-yl)azetidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66953875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).