3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline

C26H31F2N5O2 — CID 166839869

IUPAC3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
SMILESCOC1CCN(Cc2cc(C(C)Nc3cc(F)cc(F)c3)c3nc(N4CCOCC4)cnc3c2)C1
InChIInChI=1S/C26H31F2N5O2/c1-17(30-21-12-19(27)11-20(28)13-21)23-9-18(15-32-4-3-22(16-32)34-2)10-24-26(23)31-25(14-29-24)33-5-7-35-8-6-33/h9-14,17,22,30H,3-8,15-16H2,1-2H3
InChIKeyXPYXJAKUJFZJAT-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.14
Rot. Bonds7

About 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline

3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline (PubChem CID 166839869) has the molecular formula C26H31F2N5O2 and a molecular weight of 483.56 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
PubChem CID166839869
Molecular FormulaC26H31F2N5O2
Molecular Weight483.56 g/mol
Exact Mass483.24
IUPAC Name3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
SMILESCOC1CCN(Cc2cc(C(C)Nc3cc(F)cc(F)c3)c3nc(N4CCOCC4)cnc3c2)C1
InChIInChI=1S/C26H31F2N5O2/c1-17(30-21-12-19(27)11-20(28)13-21)23-9-18(15-32-4-3-22(16-32)34-2)10-24-26(23)31-25(14-29-24)33-5-7-35-8-6-33/h9-14,17,22,30H,3-8,15-16H2,1-2H3
InChIKeyXPYXJAKUJFZJAT-UHFFFAOYSA-N
XLogP4.14
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[7-[(2,6-dimethylmorpholin-4-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]-3,5-difluoroaniline;thiohypochlorous acid
CID 161012468
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
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-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 129030553
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine
CID 129030028
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
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol
CID 129030431
tert-butyl (2R)-2-[[[8-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 129030458

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline?
The IUPAC name of 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline (CID 166839869) is 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline is COC1CCN(Cc2cc(C(C)Nc3cc(F)cc(F)c3)c3nc(N4CCOCC4)cnc3c2)C1.
What is the InChIKey of 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline?
The InChIKey is XPYXJAKUJFZJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O2/c1-17(30-21-12-19(27)11-20(28)13-21)23-9-18(15-32-4-3-22(16-32)34-2)10-24-26(23)31-25(14-29-24)33-5-7-35-8-6-33/h9-14,17,22,30H,3-8,15-16H2,1-2H3.
What are the key properties of 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline?
3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline has a molecular weight of 483.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline is sourced from PubChem (CID 166839869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).