[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C25H27F2N5O4S — CID 129030423

IUPAC[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCS(=O)(=O)CC2)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C25H27F2N5O4S/c1-16(29-20-13-18(26)12-19(27)14-20)21-10-17(25(33)32-4-8-37(34,35)9-5-32)11-22-24(21)30-23(15-28-22)31-2-6-36-7-3-31/h10-16,29H,2-9H2,1H3
InChIKeyCOOIQWDGPGZLJB-UHFFFAOYSA-N
MW531.59 g/mol
LogP2.79
Rot. Bonds5

About [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 129030423) has the molecular formula C25H27F2N5O4S and a molecular weight of 531.59 g/mol. Its IUPAC name is [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID129030423
Molecular FormulaC25H27F2N5O4S
Molecular Weight531.59 g/mol
Exact Mass531.18
IUPAC Name[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCS(=O)(=O)CC2)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C25H27F2N5O4S/c1-16(29-20-13-18(26)12-19(27)14-20)21-10-17(25(33)32-4-8-37(34,35)9-5-32)11-22-24(21)30-23(15-28-22)31-2-6-36-7-3-31/h10-16,29H,2-9H2,1H3
InChIKeyCOOIQWDGPGZLJB-UHFFFAOYSA-N
XLogP2.79
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 129030553
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone
CID 129030123
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58235053
N-[1-[7-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-morpholin-4-ylquinoxalin-5-yl]ethyl]-3,5-difluoroaniline;ethane
CID 145289339
9-[(1R)-1-(3,5-difluoroanilino)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 118709589
3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
CID 166839869
N-[1-[7-[(2,6-dimethylmorpholin-4-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]-3,5-difluoroaniline;thiohypochlorous acid
CID 161012468
[8-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-2-morpholin-4-ylquinoxalin-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 129030018

Frequently Asked Questions

What is the IUPAC name of [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 129030423) is [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCS(=O)(=O)CC2)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is COOIQWDGPGZLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O4S/c1-16(29-20-13-18(26)12-19(27)14-20)21-10-17(25(33)32-4-8-37(34,35)9-5-32)11-22-24(21)30-23(15-28-22)31-2-6-36-7-3-31/h10-16,29H,2-9H2,1H3.
What are the key properties of [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 531.59 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 129030423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).