(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

C21H18N2O2 — CID 99987374

IUPAC(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2
InChIInChI=1S/C21H18N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13,19-20,22-23H,(H,24,25)/t19-,20-/m0/s1
InChIKeyIHKRBIZCPIQQSB-PMACEKPBSA-N
MW330.39 g/mol
LogP4.70
Rot. Bonds3

About (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid (PubChem CID 99987374) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
PubChem CID99987374
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2
InChIInChI=1S/C21H18N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13,19-20,22-23H,(H,24,25)/t19-,20-/m0/s1
InChIKeyIHKRBIZCPIQQSB-PMACEKPBSA-N
XLogP4.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid?
The IUPAC name of (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid (CID 99987374) is (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid?
The canonical SMILES for (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid is O=C(O)c1ccc2c(c1)N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2.
What is the InChIKey of (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid?
The InChIKey is IHKRBIZCPIQQSB-PMACEKPBSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13,19-20,22-23H,(H,24,25)/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid?
(2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-diphenyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 99987374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).