3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide

C25H24N4O5S — CID 66737148

IUPAC3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCOc1cnc2cccc(CCC(=O)NCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2c1
InChIInChI=1S/C25H24N4O5S/c1-33-17-10-19-15(3-2-4-20(19)26-11-17)5-8-23(30)27-12-18-13-29(25(32)34-18)16-6-7-22-21(9-16)28-24(31)14-35-22/h2-4,6-7,9-11,18H,5,8,12-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyDHKWWHPQKXUMFA-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.36
Rot. Bonds7

About 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide

3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 66737148) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID66737148
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCOc1cnc2cccc(CCC(=O)NCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2c1
InChIInChI=1S/C25H24N4O5S/c1-33-17-10-19-15(3-2-4-20(19)26-11-17)5-8-23(30)27-12-18-13-29(25(32)34-18)16-6-7-22-21(9-16)28-24(31)14-35-22/h2-4,6-7,9-11,18H,5,8,12-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyDHKWWHPQKXUMFA-UHFFFAOYSA-N
XLogP3.36
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide with MolForge

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Related Compounds

3-(3-methoxyquinolin-5-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737147
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
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
N-[[3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
CID 66737681
N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
CID 66737680
(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
(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
5-[(1R,2S)-3-[(3-fluoro-6-methoxyquinolin-4-yl)methylamino]-1,2-dihydroxypropyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737247
(5R)-5-(chloromethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67131156
(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
5-[[4-hydroxy-4-[(S)-hydroxy-(3-methoxyquinoxalin-5-yl)methyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66751853
2-amino-6-methoxy-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723068

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide (CID 66737148) is 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide is COc1cnc2cccc(CCC(=O)NCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2c1.
What is the InChIKey of 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is DHKWWHPQKXUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-33-17-10-19-15(3-2-4-20(19)26-11-17)5-8-23(30)27-12-18-13-29(25(32)34-18)16-6-7-22-21(9-16)28-24(31)14-35-22/h2-4,6-7,9-11,18H,5,8,12-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 492.56 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 66737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).