6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C25H28N4O5S — CID 73333967

IUPAC6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2c1
InChIInChI=1S/C25H28N4O5S/c1-33-16-4-5-19-18(10-16)17(8-9-26-19)23(31)24(32)20-6-2-15(12-34-20)27-11-14-3-7-21-25(28-14)29-22(30)13-35-21/h3-5,7-10,15,20,23-24,27,31-32H,2,6,11-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1
InChIKeyHPAZHEGIKZGDCM-VGRWIXQOSA-N
MW496.59 g/mol
LogP2.41
Rot. Bonds7

About 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 73333967) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID73333967
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2c1
InChIInChI=1S/C25H28N4O5S/c1-33-16-4-5-19-18(10-16)17(8-9-26-19)23(31)24(32)20-6-2-15(12-34-20)27-11-14-3-7-21-25(28-14)29-22(30)13-35-21/h3-5,7-10,15,20,23-24,27,31-32H,2,6,11-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1
InChIKeyHPAZHEGIKZGDCM-VGRWIXQOSA-N
XLogP2.41
TPSA125.83 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-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

CID 10204096
CID 10204096
CID 69470127
CID 69470127
CID 69471248
CID 69471248
CID 73333621
CID 73333621
CID 73334075
CID 73334075
CID 145970342
CID 145970342
CID 164625099
CID 164625099
CID 164785100
CID 164785100
CID 44527629
CID 44527629
CID 44527655
CID 44527655
CID 44528949
CID 44528949
CID 44529893
CID 44529893

Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 73333967) is 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2c1.
What is the InChIKey of 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is HPAZHEGIKZGDCM-VGRWIXQOSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-33-16-4-5-19-18(10-16)17(8-9-26-19)23(31)24(32)20-6-2-15(12-34-20)27-11-14-3-7-21-25(28-14)29-22(30)13-35-21/h3-5,7-10,15,20,23-24,27,31-32H,2,6,11-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1.
What are the key properties of 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 496.59 g/mol, XLogP of 2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 73333967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).