4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid

C20H24N2O2 — CID 170157018

IUPAC4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid
SMILESCC(C)(C)C1CN(Cc2ccccc2)c2ccccc2N1C(=O)O
InChIInChI=1S/C20H24N2O2/c1-20(2,3)18-14-21(13-15-9-5-4-6-10-15)16-11-7-8-12-17(16)22(18)19(23)24/h4-12,18H,13-14H2,1-3H3,(H,23,24)
InChIKeyFRKAYCQKNKUNFV-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.61
Rot. Bonds2

About 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid

4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid (PubChem CID 170157018) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid
PubChem CID170157018
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid
SMILESCC(C)(C)C1CN(Cc2ccccc2)c2ccccc2N1C(=O)O
InChIInChI=1S/C20H24N2O2/c1-20(2,3)18-14-21(13-15-9-5-4-6-10-15)16-11-7-8-12-17(16)22(18)19(23)24/h4-12,18H,13-14H2,1-3H3,(H,23,24)
InChIKeyFRKAYCQKNKUNFV-UHFFFAOYSA-N
XLogP4.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid?
The IUPAC name of 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid (CID 170157018) is 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid.
What is the SMILES notation for 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid?
The canonical SMILES for 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid is CC(C)(C)C1CN(Cc2ccccc2)c2ccccc2N1C(=O)O.
What is the InChIKey of 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid?
The InChIKey is FRKAYCQKNKUNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)18-14-21(13-15-9-5-4-6-10-15)16-11-7-8-12-17(16)22(18)19(23)24/h4-12,18H,13-14H2,1-3H3,(H,23,24).
What are the key properties of 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid?
4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid is sourced from PubChem (CID 170157018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).