N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide

C25H31FN8O2 — CID 142439967

IUPACN-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C2CCCN2c2cncc(F)n2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C25H31FN8O2/c1-32(2)7-5-28-25(35)17-12-18(20-4-3-6-34(20)23-15-27-14-21(26)30-23)24-19(13-17)29-16-22(31-24)33-8-10-36-11-9-33/h12-16,20H,3-11H2,1-2H3,(H,28,35)
InChIKeyFDMXWKSETGCNBG-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide

N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 142439967) has the molecular formula C25H31FN8O2 and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID142439967
Molecular FormulaC25H31FN8O2
Molecular Weight494.58 g/mol
Exact Mass494.26
IUPAC NameN-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C2CCCN2c2cncc(F)n2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C25H31FN8O2/c1-32(2)7-5-28-25(35)17-12-18(20-4-3-6-34(20)23-15-27-14-21(26)30-23)24-19(13-17)29-16-22(31-24)33-8-10-36-11-9-33/h12-16,20H,3-11H2,1-2H3,(H,28,35)
InChIKeyFDMXWKSETGCNBG-UHFFFAOYSA-N
XLogP2.03
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
CID 142439963
8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N-(1-hydroxypropan-2-yl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030082
methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129030318
2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol
CID 129029981
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 129030391
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol
CID 129030431
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
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030075
tert-butyl (2R)-2-[[[8-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 129030458
8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide
CID 129030381

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 142439967) is N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide is CN(C)CCNC(=O)c1cc(C2CCCN2c2cncc(F)n2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is FDMXWKSETGCNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN8O2/c1-32(2)7-5-28-25(35)17-12-18(20-4-3-6-34(20)23-15-27-14-21(26)30-23)24-19(13-17)29-16-22(31-24)33-8-10-36-11-9-33/h12-16,20H,3-11H2,1-2H3,(H,28,35).
What are the key properties of N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 142439967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).