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

C26H27N5O5S — CID 10098218

IUPACN-(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
SMILESO=C1CSc2ccc(CNC3CCC(O)(C(=O)Nc4ccnc5ccc6c(c45)OCCO6)CC3)nc2N1
InChIInChI=1S/C26H27N5O5S/c32-21-14-37-20-4-1-16(29-24(20)31-21)13-28-15-5-8-26(34,9-6-15)25(33)30-18-7-10-27-17-2-3-19-23(22(17)18)36-12-11-35-19/h1-4,7,10,15,28,34H,5-6,8-9,11-14H2,(H,27,30,33)(H,29,31,32)
InChIKeyWQWZOEIBPGKVLL-UHFFFAOYSA-N
MW521.60 g/mol
LogP2.85
Rot. Bonds5

About 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

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 (PubChem CID 10098218) has the molecular formula C26H27N5O5S and a molecular weight of 521.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID10098218
Molecular FormulaC26H27N5O5S
Molecular Weight521.60 g/mol
Exact Mass521.17
IUPAC NameN-(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
SMILESO=C1CSc2ccc(CNC3CCC(O)(C(=O)Nc4ccnc5ccc6c(c45)OCCO6)CC3)nc2N1
InChIInChI=1S/C26H27N5O5S/c32-21-14-37-20-4-1-16(29-24(20)31-21)13-28-15-5-8-26(34,9-6-15)25(33)30-18-7-10-27-17-2-3-19-23(22(17)18)36-12-11-35-19/h1-4,7,10,15,28,34H,5-6,8-9,11-14H2,(H,27,30,33)(H,29,31,32)
InChIKeyWQWZOEIBPGKVLL-UHFFFAOYSA-N
XLogP2.85
TPSA134.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
CID 68890003
1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide
CID 71146562
1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
CID 71146568
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
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-amine;N-isoquinolin-5-yl-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexane-1-carboxamide;4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-N-quinolin-4-ylcyclohexane-1-carboxamide
CID 87957786
N-isoquinolin-5-yl-4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 10026643
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-[2-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)ethyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44536952
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
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
6-[[[1-[2-(3,6-dichloroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10348121

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CSc2ccc(CNC3CCC(O)(C(=O)Nc4ccnc5ccc6c(c45)OCCO6)CC3)nc2N1.
What is the InChIKey of 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?
The InChIKey is WQWZOEIBPGKVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5S/c32-21-14-37-20-4-1-16(29-24(20)31-21)13-28-15-5-8-26(34,9-6-15)25(33)30-18-7-10-27-17-2-3-19-23(22(17)18)36-12-11-35-19/h1-4,7,10,15,28,34H,5-6,8-9,11-14H2,(H,27,30,33)(H,29,31,32).
What are the key properties of 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?
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 has a molecular weight of 521.60 g/mol, XLogP of 2.85, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10098218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).