4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid

C20H23N3O3 — CID 10405813

IUPAC4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid
SMILESCC1(C)CCC(C)(C)c2nc(C(=O)Nc3ccc(C(=O)O)cc3)cnc21
InChIInChI=1S/C20H23N3O3/c1-19(2)9-10-20(3,4)16-15(19)21-11-14(23-16)17(24)22-13-7-5-12(6-8-13)18(25)26/h5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26)
InChIKeyLOQCWYZQTILXOB-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.78
Rot. Bonds3

About 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid

4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid (PubChem CID 10405813) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid
PubChem CID10405813
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid
SMILESCC1(C)CCC(C)(C)c2nc(C(=O)Nc3ccc(C(=O)O)cc3)cnc21
InChIInChI=1S/C20H23N3O3/c1-19(2)9-10-20(3,4)16-15(19)21-11-14(23-16)17(24)22-13-7-5-12(6-8-13)18(25)26/h5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26)
InChIKeyLOQCWYZQTILXOB-UHFFFAOYSA-N
XLogP3.78
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid (CID 10405813) is 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid is CC1(C)CCC(C)(C)c2nc(C(=O)Nc3ccc(C(=O)O)cc3)cnc21.
What is the InChIKey of 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid?
The InChIKey is LOQCWYZQTILXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-19(2)9-10-20(3,4)16-15(19)21-11-14(23-16)17(24)22-13-7-5-12(6-8-13)18(25)26/h5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26).
What are the key properties of 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid?
4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid has a molecular weight of 353.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 10405813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).