6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C23H25FN6O2S — CID 15985634

IUPAC6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CNC3CCN(CCn4c(=O)cnc5ccc(F)cc54)CC3)nc2N1
InChIInChI=1S/C23H25FN6O2S/c24-15-1-3-18-19(11-15)30(22(32)13-26-18)10-9-29-7-5-16(6-8-29)25-12-17-2-4-20-23(27-17)28-21(31)14-33-20/h1-4,11,13,16,25H,5-10,12,14H2,(H,27,28,31)
InChIKeyQMNKEUIJOAHBKI-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.23
Rot. Bonds6

About 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 15985634) has the molecular formula C23H25FN6O2S and a molecular weight of 468.56 g/mol. Its IUPAC name is 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID15985634
Molecular FormulaC23H25FN6O2S
Molecular Weight468.56 g/mol
Exact Mass468.17
IUPAC Name6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CNC3CCN(CCn4c(=O)cnc5ccc(F)cc54)CC3)nc2N1
InChIInChI=1S/C23H25FN6O2S/c24-15-1-3-18-19(11-15)30(22(32)13-26-18)10-9-29-7-5-16(6-8-29)25-12-17-2-4-20-23(27-17)28-21(31)14-33-20/h1-4,11,13,16,25H,5-10,12,14H2,(H,27,28,31)
InChIKeyQMNKEUIJOAHBKI-UHFFFAOYSA-N
XLogP2.23
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Related Compounds

1-[3-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159336
1-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159373
1-[3-[4-(3-fluorophenyl)sulfonylpiperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159384
N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 3239121
1-(3-Keto-4-methyl-1,4-benzothiazin-6-yl)-3-(6-methyl-2-pyridyl)urea
CID 9551331
N-(4-Fluorophenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332587
2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 15988345
N-[3-(9-thia-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-2-yl)propyl]acetamide
CID 101913775
10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carboxamide, N-(2-piperazinoethyl)-, hydrochloride
CID 3048186
12-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-3,6-diene-2,8-dione
CID 134131100
1-[3'-(Cyclopentylamino)-1'H-spiro[piperidine-3,2'-pyrido[2,3-B]pyrazin]-1-YL]-2-(phenylsulfanyl)ethan-1-one
CID 136260859
(2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-2H-1,4-benzothiazin-3(4H)-one
CID 46249869

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 15985634) is 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is O=C1CSc2ccc(CNC3CCN(CCn4c(=O)cnc5ccc(F)cc54)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is QMNKEUIJOAHBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2S/c24-15-1-3-18-19(11-15)30(22(32)13-26-18)10-9-29-7-5-16(6-8-29)25-12-17-2-4-20-23(27-17)28-21(31)14-33-20/h1-4,11,13,16,25H,5-10,12,14H2,(H,27,28,31).
What are the key properties of 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 468.56 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 15985634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).