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

C25H30F2N6O2 — CID 129029979

IUPAC8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESC[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)NCCN(C)C)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)/t16-/m1/s1
InChIKeyFVGWYTCJVNLXLY-MRXNPFEDSA-N
MW484.55 g/mol
LogP3.21
Rot. Bonds8

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

8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 129029979) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID129029979
Molecular FormulaC25H30F2N6O2
Molecular Weight484.55 g/mol
Exact Mass484.24
IUPAC Name8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESC[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)NCCN(C)C)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)/t16-/m1/s1
InChIKeyFVGWYTCJVNLXLY-MRXNPFEDSA-N
XLogP3.21
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 129029979) is 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide is C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)NCCN(C)C)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is FVGWYTCJVNLXLY-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)/t16-/m1/s1.
What are the key properties of 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 129029979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).