8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide

C22H23F2N5O2 — CID 129030075

IUPAC8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C22H23F2N5O2/c1-28(2)22(30)15-9-18(25-12-14-7-16(23)11-17(24)8-14)21-19(10-15)26-13-20(27-21)29-3-5-31-6-4-29/h7-11,13,25H,3-6,12H2,1-2H3
InChIKeyLYMRZPHZPXZBGY-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.06
Rot. Bonds5

About 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide

8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 129030075) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID129030075
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C22H23F2N5O2/c1-28(2)22(30)15-9-18(25-12-14-7-16(23)11-17(24)8-14)21-19(10-15)26-13-20(27-21)29-3-5-31-6-4-29/h7-11,13,25H,3-6,12H2,1-2H3
InChIKeyLYMRZPHZPXZBGY-UHFFFAOYSA-N
XLogP3.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide
CID 129030381
tert-butyl N-[2-[[8-[(3,5-difluorophenyl)methylamino]-2-morpholin-4-ylquinoxaline-6-carbonyl]-methylamino]ethyl]-N-propan-2-ylcarbamate
CID 129029897
8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030292
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030364
N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide
CID 129030355
8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
CID 129030184
[8-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-2-morpholin-4-ylquinoxalin-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 129030018
methyl 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029917
[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol
CID 129029981

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 129030075) is 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide is CN(C)C(=O)c1cc(NCc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is LYMRZPHZPXZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-28(2)22(30)15-9-18(25-12-14-7-16(23)11-17(24)8-14)21-19(10-15)26-13-20(27-21)29-3-5-31-6-4-29/h7-11,13,25H,3-6,12H2,1-2H3.
What are the key properties of 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 129030075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).