4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid

C23H24N2O3 — CID 10547547

IUPAC4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid
SMILESCC1(C)CCC(C)(C)c2nc(-c3cc(-c4ccc(C(=O)O)cc4)co3)cnc21
InChIInChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
InChIKeyQSMDIKOFXUXFOR-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.45
Rot. Bonds3

About 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid

4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid (PubChem CID 10547547) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid
PubChem CID10547547
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid
SMILESCC1(C)CCC(C)(C)c2nc(-c3cc(-c4ccc(C(=O)O)cc4)co3)cnc21
InChIInChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)
InChIKeyQSMDIKOFXUXFOR-UHFFFAOYSA-N
XLogP5.45
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid with MolForge

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Related Compounds

4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-furan-2-yl]-benzoic acid
CID 10619546
6-(2-(3-(4-(Phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylic acid
CID 24801045
5-(Furan-2-yl)picolinic acid
CID 26343608
Methyl 5-(furan-2-yl)pyridine-2-carboxylate
CID 137641240
US10752596, Example 82
CID 138532313
7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463656
2,3-Bis(furan-2-yl)-6-pyridin-4-ylquinoxaline
CID 145979211
3-[4-(Phenoxymethyl)phenyl]pyrazine-2-carboxylic acid
CID 172435275
2-(Furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid
CID 74223924
6-(Furan-2-yl)pyridine-3-carboxylicacidhydrochloride
CID 165596895
6-(Furan-2-yl)nicotinic acid
CID 19010290
3-(Furan-2-yl)-5-methyl-2-phenylquinoxaline
CID 134955144

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid?
The IUPAC name of 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid (CID 10547547) is 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid is CC1(C)CCC(C)(C)c2nc(-c3cc(-c4ccc(C(=O)O)cc4)co3)cnc21.
What is the InChIKey of 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid?
The InChIKey is QSMDIKOFXUXFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27).
What are the key properties of 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid?
4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid has a molecular weight of 376.46 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid is sourced from PubChem (CID 10547547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).