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

C24H21N3O2 — CID 67041925

IUPAC3-[methyl-[(1R)-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-/m1/s1
InChIKeyBAGVMYQIIZVDCW-MRXNPFEDSA-N
MW383.45 g/mol
LogP5.19
Rot. Bonds5

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

3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 67041925) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid
PubChem CID67041925
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-[methyl-[(1R)-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-/m1/s1
InChIKeyBAGVMYQIIZVDCW-MRXNPFEDSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid (CID 67041925) is 3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[methyl-[(1R)-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-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is BAGVMYQIIZVDCW-MRXNPFEDSA-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-/m1/s1.
What are the key properties of 3-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid?
3-[methyl-[(1R)-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-[(1R)-1-phenylethyl]amino]-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 67041925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).