(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide

C19H18F2N4O — CID 122647583

IUPAC(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide
SMILESCN[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2nccnc2c1
InChIInChI=1S/C19H18F2N4O/c1-22-18(9-12-7-13(20)10-14(21)8-12)19(26)25(2)15-3-4-16-17(11-15)24-6-5-23-16/h3-8,10-11,18,22H,9H2,1-2H3/t18-/m0/s1
InChIKeyIUQUPBNMTNMHEM-SFHVURJKSA-N
MW356.38 g/mol
LogP2.70
Rot. Bonds5

About (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide

(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide (PubChem CID 122647583) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide
PubChem CID122647583
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide
SMILESCN[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2nccnc2c1
InChIInChI=1S/C19H18F2N4O/c1-22-18(9-12-7-13(20)10-14(21)8-12)19(26)25(2)15-3-4-16-17(11-15)24-6-5-23-16/h3-8,10-11,18,22H,9H2,1-2H3/t18-/m0/s1
InChIKeyIUQUPBNMTNMHEM-SFHVURJKSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide?
The IUPAC name of (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide (CID 122647583) is (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide.
What is the SMILES notation for (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide?
The canonical SMILES for (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide is CN[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2nccnc2c1.
What is the InChIKey of (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide?
The InChIKey is IUQUPBNMTNMHEM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-22-18(9-12-7-13(20)10-14(21)8-12)19(26)25(2)15-3-4-16-17(11-15)24-6-5-23-16/h3-8,10-11,18,22H,9H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide?
(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide has a molecular weight of 356.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide is sourced from PubChem (CID 122647583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).