(5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C28H30N4O5S — CID 45278855

IUPAC(5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ccc(OCC3CCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)nc2c1
InChIInChI=1S/C28H30N4O5S/c1-35-21-5-2-19-3-7-27(30-23(19)13-21)36-16-18-8-10-31(11-9-18)14-22-15-32(28(34)37-22)20-4-6-25-24(12-20)29-26(33)17-38-25/h2-7,12-13,18,22H,8-11,14-17H2,1H3,(H,29,33)/t22-/m1/s1
InChIKeyYJMWRIWAXMIFIZ-JOCHJYFZSA-N
MW534.64 g/mol
LogP4.40
Rot. Bonds7

About (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 45278855) has the molecular formula C28H30N4O5S and a molecular weight of 534.64 g/mol. Its IUPAC name is (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID45278855
Molecular FormulaC28H30N4O5S
Molecular Weight534.64 g/mol
Exact Mass534.19
IUPAC Name(5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ccc(OCC3CCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)nc2c1
InChIInChI=1S/C28H30N4O5S/c1-35-21-5-2-19-3-7-27(30-23(19)13-21)36-16-18-8-10-31(11-9-18)14-22-15-32(28(34)37-22)20-4-6-25-24(12-20)29-26(33)17-38-25/h2-7,12-13,18,22H,8-11,14-17H2,1H3,(H,29,33)/t22-/m1/s1
InChIKeyYJMWRIWAXMIFIZ-JOCHJYFZSA-N
XLogP4.40
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.64
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(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-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67134702
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25097708
(5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 142764078
5-[[(3S)-3-hydroxy-3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 45274474
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
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
(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
5-[[(3aR)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,3,3a,4-tetrahydropyrrolo[2,3-c]pyrrol-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66953646
(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one
CID 123625224
(5R)-5-[[(3S,4S)-3-(6-methoxyquinazolin-4-yl)oxy-4-(triazol-1-yl)pyrrolidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66751507
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 45278855) is (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ccc(OCC3CCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)nc2c1.
What is the InChIKey of (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is YJMWRIWAXMIFIZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H30N4O5S/c1-35-21-5-2-19-3-7-27(30-23(19)13-21)36-16-18-8-10-31(11-9-18)14-22-15-32(28(34)37-22)20-4-6-25-24(12-20)29-26(33)17-38-25/h2-7,12-13,18,22H,8-11,14-17H2,1H3,(H,29,33)/t22-/m1/s1.
What are the key properties of (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
(5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 534.64 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[(7-methoxyquinolin-2-yl)oxymethyl]piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 45278855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).