N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide

C23H26N4O2S — CID 129030355

IUPACN,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide
SMILESCC(Sc1ccccc1)c1cc(C(=O)N(C)C)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C23H26N4O2S/c1-16(30-18-7-5-4-6-8-18)19-13-17(23(28)26(2)3)14-20-22(19)25-21(15-24-20)27-9-11-29-12-10-27/h4-8,13-16H,9-12H2,1-3H3
InChIKeyPZYCCQBNVHNNHL-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.02
Rot. Bonds5

About N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide

N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide (PubChem CID 129030355) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide
PubChem CID129030355
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide
SMILESCC(Sc1ccccc1)c1cc(C(=O)N(C)C)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C23H26N4O2S/c1-16(30-18-7-5-4-6-8-18)19-13-17(23(28)26(2)3)14-20-22(19)25-21(15-24-20)27-9-11-29-12-10-27/h4-8,13-16H,9-12H2,1-3H3
InChIKeyPZYCCQBNVHNNHL-UHFFFAOYSA-N
XLogP4.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030292
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-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030075
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
8-[1-(4-chloro-3-fluorophenoxy)ethyl]-N-[2-[methyl(prop-1-en-2-yl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289341
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 129030414
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 N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide?
The IUPAC name of N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide (CID 129030355) is N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide?
The canonical SMILES for N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide is CC(Sc1ccccc1)c1cc(C(=O)N(C)C)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide?
The InChIKey is PZYCCQBNVHNNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16(30-18-7-5-4-6-8-18)19-13-17(23(28)26(2)3)14-20-22(19)25-21(15-24-20)27-9-11-29-12-10-27/h4-8,13-16H,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide?
N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 129030355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).