5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid

C22H17N3O3 — CID 22310107

IUPAC5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc2nc3c4ccccc4n(Cc4ccc(C(=O)O)o4)c3nc2cc1C
InChIInChI=1S/C22H17N3O3/c1-12-9-16-17(10-13(12)2)24-21-20(23-16)15-5-3-4-6-18(15)25(21)11-14-7-8-19(28-14)22(26)27/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyAFTXMTYRTVFCRY-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.69
Rot. Bonds3

About 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid

5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid (PubChem CID 22310107) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid
PubChem CID22310107
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc2nc3c4ccccc4n(Cc4ccc(C(=O)O)o4)c3nc2cc1C
InChIInChI=1S/C22H17N3O3/c1-12-9-16-17(10-13(12)2)24-21-20(23-16)15-5-3-4-6-18(15)25(21)11-14-7-8-19(28-14)22(26)27/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyAFTXMTYRTVFCRY-UHFFFAOYSA-N
XLogP4.69
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid (CID 22310107) is 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid is Cc1cc2nc3c4ccccc4n(Cc4ccc(C(=O)O)o4)c3nc2cc1C.
What is the InChIKey of 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid?
The InChIKey is AFTXMTYRTVFCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-12-9-16-17(10-13(12)2)24-21-20(23-16)15-5-3-4-6-18(15)25(21)11-14-7-8-19(28-14)22(26)27/h3-10H,11H2,1-2H3,(H,26,27).
What are the key properties of 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid?
5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid has a molecular weight of 371.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 22310107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).