N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide

C24H26F3N5O3 — CID 129030364

IUPACN-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCc1c(CNc2cc(C(=O)NCCO)cc3ncc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3/c1-15-16(3-2-4-18(15)24(25,26)27)13-29-19-11-17(23(34)28-5-8-33)12-20-22(19)31-21(14-30-20)32-6-9-35-10-7-32/h2-4,11-12,14,29,33H,5-10,13H2,1H3,(H,28,34)
InChIKeyFFMIPYJYELIUOS-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.13
Rot. Bonds7

About N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide

N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 129030364) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID129030364
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC NameN-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCc1c(CNc2cc(C(=O)NCCO)cc3ncc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3/c1-15-16(3-2-4-18(15)24(25,26)27)13-29-19-11-17(23(34)28-5-8-33)12-20-22(19)31-21(14-30-20)32-6-9-35-10-7-32/h2-4,11-12,14,29,33H,5-10,13H2,1H3,(H,28,34)
InChIKeyFFMIPYJYELIUOS-UHFFFAOYSA-N
XLogP3.13
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030075
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
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(trifluoromethyl)benzamide
CID 90491773
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone
CID 67101968
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 71527716
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 129030364) is N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide is Cc1c(CNc2cc(C(=O)NCCO)cc3ncc(N4CCOCC4)nc23)cccc1C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is FFMIPYJYELIUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-15-16(3-2-4-18(15)24(25,26)27)13-29-19-11-17(23(34)28-5-8-33)12-20-22(19)31-21(14-30-20)32-6-9-35-10-7-32/h2-4,11-12,14,29,33H,5-10,13H2,1H3,(H,28,34).
What are the key properties of N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide?
N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 129030364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).