8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid

C22H23FN4O3 — CID 129030184

IUPAC8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
SMILESCC(c1cc(C(=O)O)cc2ncc(N3CCOCC3)nc12)N(C)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3/c1-14(26(2)17-5-3-4-16(23)12-17)18-10-15(22(28)29)11-19-21(18)25-20(13-24-19)27-6-8-30-9-7-27/h3-5,10-14H,6-9H2,1-2H3,(H,28,29)
InChIKeyRGMDYJXFOTYVBA-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.50
Rot. Bonds5

About 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid

8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid (PubChem CID 129030184) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
PubChem CID129030184
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
SMILESCC(c1cc(C(=O)O)cc2ncc(N3CCOCC3)nc12)N(C)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3/c1-14(26(2)17-5-3-4-16(23)12-17)18-10-15(22(28)29)11-19-21(18)25-20(13-24-19)27-6-8-30-9-7-27/h3-5,10-14H,6-9H2,1-2H3,(H,28,29)
InChIKeyRGMDYJXFOTYVBA-UHFFFAOYSA-N
XLogP3.50
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029917
8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030292
N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide
CID 129030355
[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 129030553
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
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030075
8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
CID 142439963
tris([8-[1-(3,4-difluorophenoxy)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone);sulfane
CID 160927499

Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid (CID 129030184) is 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid is CC(c1cc(C(=O)O)cc2ncc(N3CCOCC3)nc12)N(C)c1cccc(F)c1.
What is the InChIKey of 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
The InChIKey is RGMDYJXFOTYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14(26(2)17-5-3-4-16(23)12-17)18-10-15(22(28)29)11-19-21(18)25-20(13-24-19)27-6-8-30-9-7-27/h3-5,10-14H,6-9H2,1-2H3,(H,28,29).
What are the key properties of 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid has a molecular weight of 410.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 129030184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).