3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid

C24H21N3O2 — CID 50991210

IUPAC3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid
SMILESC[C@@H](c1ccccc1)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-16(17-9-5-3-6-10-17)27(2)23-22(18-11-7-4-8-12-18)25-20-14-13-19(24(28)29)15-21(20)26-23/h3-16H,1-2H3,(H,28,29)/t16-/m0/s1
InChIKeyBAGVMYQIIZVDCW-INIZCTEOSA-N
MW383.45 g/mol
LogP5.19
Rot. Bonds5

About 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid

3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 50991210) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid
PubChem CID50991210
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid
SMILESC[C@@H](c1ccccc1)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-16(17-9-5-3-6-10-17)27(2)23-22(18-11-7-4-8-12-18)25-20-14-13-19(24(28)29)15-21(20)26-23/h3-16H,1-2H3,(H,28,29)/t16-/m0/s1
InChIKeyBAGVMYQIIZVDCW-INIZCTEOSA-N
XLogP5.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-[methyl-[(1S)-1-phenylethyl]amino]quinoxaline-6-carboxylic acid
CID 70664881
2-(4-acetamidophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 70665292
2-(2-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 50991308
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methanol;methyl 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 157267531
2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 86670556
sodium;2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methyl 2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;hydroxide
CID 158584817
3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
CID 141344770
methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoxaline-6-carboxylate
CID 70665079
azepane;2-methyl-3-phenylquinoxaline-6-carboxylic acid
CID 158357272
methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate
CID 70664837
3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide
CID 70654277

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid (CID 50991210) is 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid is C[C@@H](c1ccccc1)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1.
What is the InChIKey of 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is BAGVMYQIIZVDCW-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16(17-9-5-3-6-10-17)27(2)23-22(18-11-7-4-8-12-18)25-20-14-13-19(24(28)29)15-21(20)26-23/h3-16H,1-2H3,(H,28,29)/t16-/m0/s1.
What are the key properties of 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1S)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).