8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide

C26H32F2N6O2 — CID 129030381

IUPAC8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide
SMILESCC(C)NCCN(C)C(=O)c1cc(NCc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C26H32F2N6O2/c1-17(2)29-4-5-33(3)26(35)19-12-22(30-15-18-10-20(27)14-21(28)11-18)25-23(13-19)31-16-24(32-25)34-6-8-36-9-7-34/h10-14,16-17,29-30H,4-9,15H2,1-3H3
InChIKeyCRRGLQXOMDVNSJ-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.43
Rot. Bonds9

About 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide

8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide (PubChem CID 129030381) has the molecular formula C26H32F2N6O2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide
PubChem CID129030381
Molecular FormulaC26H32F2N6O2
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC Name8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide
SMILESCC(C)NCCN(C)C(=O)c1cc(NCc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C26H32F2N6O2/c1-17(2)29-4-5-33(3)26(35)19-12-22(30-15-18-10-20(27)14-21(28)11-18)25-23(13-19)31-16-24(32-25)34-6-8-36-9-7-34/h10-14,16-17,29-30H,4-9,15H2,1-3H3
InChIKeyCRRGLQXOMDVNSJ-UHFFFAOYSA-N
XLogP3.43
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

8-[(3,5-difluorophenyl)methylamino]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030075
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-(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
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
N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030364
[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-(4-chloro-3-fluorophenoxy)ethyl]-N-[2-[methyl(prop-1-en-2-yl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289341
N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide
CID 129030355
8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N-(1-hydroxypropan-2-yl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030082

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide (CID 129030381) is 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide is CC(C)NCCN(C)C(=O)c1cc(NCc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide?
The InChIKey is CRRGLQXOMDVNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O2/c1-17(2)29-4-5-33(3)26(35)19-12-22(30-15-18-10-20(27)14-21(28)11-18)25-23(13-19)31-16-24(32-25)34-6-8-36-9-7-34/h10-14,16-17,29-30H,4-9,15H2,1-3H3.
What are the key properties of 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide?
8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-difluorophenyl)methylamino]-N-methyl-2-morpholin-4-yl-N-[2-(propan-2-ylamino)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 129030381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).