6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C26H29N5O3S — CID 89311861

IUPAC6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESC=C(Nc1ccnc2ccc(OC)cc12)C1(O)CCC(NCc2ccc3c(n2)NC(=O)CS3)CC1
InChIInChI=1S/C26H29N5O3S/c1-16(29-22-9-12-27-21-5-4-19(34-2)13-20(21)22)26(33)10-7-17(8-11-26)28-14-18-3-6-23-25(30-18)31-24(32)15-35-23/h3-6,9,12-13,17,28,33H,1,7-8,10-11,14-15H2,2H3,(H,27,29)(H,30,31,32)
InChIKeyIWIJLGWVJHMOKU-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.07
Rot. Bonds7

About 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 89311861) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID89311861
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESC=C(Nc1ccnc2ccc(OC)cc12)C1(O)CCC(NCc2ccc3c(n2)NC(=O)CS3)CC1
InChIInChI=1S/C26H29N5O3S/c1-16(29-22-9-12-27-21-5-4-19(34-2)13-20(21)22)26(33)10-7-17(8-11-26)28-14-18-3-6-23-25(30-18)31-24(32)15-35-23/h3-6,9,12-13,17,28,33H,1,7-8,10-11,14-15H2,2H3,(H,27,29)(H,30,31,32)
InChIKeyIWIJLGWVJHMOKU-UHFFFAOYSA-N
XLogP4.07
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
CID 68890003
N-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)-1-hydroxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 10098218
6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68566180
2-[(2S,5R)-2-[(6-methoxyquinazolin-4-yl)oxymethyl]-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]piperidin-1-yl]acetic acid
CID 11519294
6-[[[4-[[(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44527659
6-[[[4-[[(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527658
1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
CID 10391068
6-[[[(3S,4R)-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;dihydrochloride
CID 68565780
6-[[[6-[(8-fluoro-6-methoxyquinolin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69468930
(1R)-1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)-2-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 142665381
6-[[[8-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 45481000
6-[[[(3R,6S)-6-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69471248

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 89311861) is 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is C=C(Nc1ccnc2ccc(OC)cc12)C1(O)CCC(NCc2ccc3c(n2)NC(=O)CS3)CC1.
What is the InChIKey of 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is IWIJLGWVJHMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-16(29-22-9-12-27-21-5-4-19(34-2)13-20(21)22)26(33)10-7-17(8-11-26)28-14-18-3-6-23-25(30-18)31-24(32)15-35-23/h3-6,9,12-13,17,28,33H,1,7-8,10-11,14-15H2,2H3,(H,27,29)(H,30,31,32).
What are the key properties of 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 491.62 g/mol, XLogP of 4.07, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-hydroxy-4-[1-[(6-methoxyquinolin-4-yl)amino]ethenyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 89311861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).