8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane

C30H44F2N6O2 — CID 145289333

IUPAC8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
SMILESCC.CC.CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)CCN(C)C)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C26H32F2N6O2.2C2H6/c1-17(30-21-14-19(27)13-20(28)15-21)22-11-18(26(35)33(4)6-5-32(2)3)12-23-25(22)31-24(16-29-23)34-7-9-36-10-8-34;2*1-2/h11-17,30H,5-10H2,1-4H3;2*1-2H3
InChIKeyOYABGTCVPAFNHS-UHFFFAOYSA-N
MW558.72 g/mol
LogP5.60
Rot. Bonds8

About 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane

8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane (PubChem CID 145289333) has the molecular formula C30H44F2N6O2 and a molecular weight of 558.72 g/mol. Its IUPAC name is 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane.

Molecular Properties

Compound Name8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
PubChem CID145289333
Molecular FormulaC30H44F2N6O2
Molecular Weight558.72 g/mol
Exact Mass558.35
IUPAC Name8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
SMILESCC.CC.CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)CCN(C)C)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C26H32F2N6O2.2C2H6/c1-17(30-21-14-19(27)13-20(28)15-21)22-11-18(26(35)33(4)6-5-32(2)3)12-23-25(22)31-24(16-29-23)34-7-9-36-10-8-34;2*1-2/h11-17,30H,5-10H2,1-4H3;2*1-2H3
InChIKeyOYABGTCVPAFNHS-UHFFFAOYSA-N
XLogP5.60
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane with MolForge

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Related Compounds

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-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
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
N-[1-[7-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-morpholin-4-ylquinoxalin-5-yl]ethyl]-3,5-difluoroaniline;ethane
CID 145289339
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
CID 166839869
N-[1-[7-[(2,6-dimethylmorpholin-4-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]-3,5-difluoroaniline;thiohypochlorous acid
CID 161012468
8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030075
[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 129030553

Frequently Asked Questions

What is the IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane?
The IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane (CID 145289333) is 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane.
What is the SMILES notation for 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane?
The canonical SMILES for 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane is CC.CC.CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)CCN(C)C)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane?
The InChIKey is OYABGTCVPAFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O2.2C2H6/c1-17(30-21-14-19(27)13-20(28)15-21)22-11-18(26(35)33(4)6-5-32(2)3)12-23-25(22)31-24(16-29-23)34-7-9-36-10-8-34;2*1-2/h11-17,30H,5-10H2,1-4H3;2*1-2H3.
What are the key properties of 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane?
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane has a molecular weight of 558.72 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane is sourced from PubChem (CID 145289333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).