[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone

C26H30FN5O3 — CID 129030553

IUPAC[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCC(Nc1cccc(F)c1)c1cc(C(=O)N2CCCC(O)C2)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C26H30FN5O3/c1-17(29-20-5-2-4-19(27)14-20)22-12-18(26(34)32-7-3-6-21(33)16-32)13-23-25(22)30-24(15-28-23)31-8-10-35-11-9-31/h2,4-5,12-15,17,21,29,33H,3,6-11,16H2,1H3
InChIKeyIGHFRFMEOJKHCS-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.38
Rot. Bonds5

About [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone

[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 129030553) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID129030553
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCC(Nc1cccc(F)c1)c1cc(C(=O)N2CCCC(O)C2)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C26H30FN5O3/c1-17(29-20-5-2-4-19(27)14-20)22-12-18(26(34)32-7-3-6-21(33)16-32)13-23-25(22)30-24(15-28-23)31-8-10-35-11-9-31/h2,4-5,12-15,17,21,29,33H,3,6-11,16H2,1H3
InChIKeyIGHFRFMEOJKHCS-UHFFFAOYSA-N
XLogP3.38
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
CID 129030184
methyl 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029917
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 129030391
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
tris([8-[1-(3,4-difluorophenoxy)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone);sulfane
CID 160927499
tert-butyl (2R)-2-[[[8-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 129030458
[8-[1-(3,4-difluorophenoxy)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3S)-3-ethylpyrrolidin-1-yl]methanone;methane;sulfane
CID 158607211
3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
CID 166839869

Frequently Asked Questions

What is the IUPAC name of [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 129030553) is [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone is CC(Nc1cccc(F)c1)c1cc(C(=O)N2CCCC(O)C2)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is IGHFRFMEOJKHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-17(29-20-5-2-4-19(27)14-20)22-12-18(26(34)32-7-3-6-21(33)16-32)13-23-25(22)30-24(15-28-23)31-8-10-35-11-9-31/h2,4-5,12-15,17,21,29,33H,3,6-11,16H2,1H3.
What are the key properties of [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone?
[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 479.56 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 129030553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).