3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid

C23H17N3O3 — CID 67041932

IUPAC3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCOc4ccccc43)nc2c1
InChIInChI=1S/C23H17N3O3/c27-23(28)16-10-11-17-18(14-16)25-22(21(24-17)15-6-2-1-3-7-15)26-12-13-29-20-9-5-4-8-19(20)26/h1-11,14H,12-13H2,(H,27,28)
InChIKeyBRLJMTPGCJFYGH-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.53
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid

3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 67041932) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID67041932
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCOc4ccccc43)nc2c1
InChIInChI=1S/C23H17N3O3/c27-23(28)16-10-11-17-18(14-16)25-22(21(24-17)15-6-2-1-3-7-15)26-12-13-29-20-9-5-4-8-19(20)26/h1-11,14H,12-13H2,(H,27,28)
InChIKeyBRLJMTPGCJFYGH-UHFFFAOYSA-N
XLogP4.53
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-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 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid (CID 67041932) is 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCOc4ccccc43)nc2c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is BRLJMTPGCJFYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23(28)16-10-11-17-18(14-16)25-22(21(24-17)15-6-2-1-3-7-15)26-12-13-29-20-9-5-4-8-19(20)26/h1-11,14H,12-13H2,(H,27,28).
What are the key properties of 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid?
3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 383.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 67041932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).