6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C25H28FN5O3S — CID 44536336

IUPAC6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cc(F)c2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C25H28FN5O3S/c1-34-17-10-19-18(4-7-27-24(19)20(26)11-17)21(32)13-31-8-5-15(6-9-31)28-12-16-2-3-22-25(29-16)30-23(33)14-35-22/h2-4,7,10-11,15,21,28,32H,5-6,8-9,12-14H2,1H3,(H,29,30,33)/t21-/m0/s1
InChIKeySQEUFPGYSGIFHX-NRFANRHFSA-N
MW497.60 g/mol
LogP3.11
Rot. Bonds7

About 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 44536336) has the molecular formula C25H28FN5O3S and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID44536336
Molecular FormulaC25H28FN5O3S
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cc(F)c2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C25H28FN5O3S/c1-34-17-10-19-18(4-7-27-24(19)20(26)11-17)21(32)13-31-8-5-15(6-9-31)28-12-16-2-3-22-25(29-16)30-23(33)14-35-22/h2-4,7,10-11,15,21,28,32H,5-6,8-9,12-14H2,1H3,(H,29,30,33)/t21-/m0/s1
InChIKeySQEUFPGYSGIFHX-NRFANRHFSA-N
XLogP3.11
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 44536336) is 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1cc(F)c2nccc([C@@H](O)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1.
What is the InChIKey of 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is SQEUFPGYSGIFHX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28FN5O3S/c1-34-17-10-19-18(4-7-27-24(19)20(26)11-17)21(32)13-31-8-5-15(6-9-31)28-12-16-2-3-22-25(29-16)30-23(33)14-35-22/h2-4,7,10-11,15,21,28,32H,5-6,8-9,12-14H2,1H3,(H,29,30,33)/t21-/m0/s1.
What are the key properties of 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 497.60 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[(2R)-2-(8-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 44536336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).