1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one

C20H24N2O2 — CID 82156906

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
SMILESCC(C)(C)c1ccc(OCCN2C(=O)CNc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)15-8-10-16(11-9-15)24-13-12-22-18-7-5-4-6-17(18)21-14-19(22)23/h4-11,21H,12-14H2,1-3H3
InChIKeySVCMJDHGTRYXKF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds4

About 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one

1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one (PubChem CID 82156906) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
PubChem CID82156906
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
SMILESCC(C)(C)c1ccc(OCCN2C(=O)CNc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-20(2,3)15-8-10-16(11-9-15)24-13-12-22-18-7-5-4-6-17(18)21-14-19(22)23/h4-11,21H,12-14H2,1-3H3
InChIKeySVCMJDHGTRYXKF-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one (CID 82156906) is 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one is CC(C)(C)c1ccc(OCCN2C(=O)CNc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one?
The InChIKey is SVCMJDHGTRYXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,3)15-8-10-16(11-9-15)24-13-12-22-18-7-5-4-6-17(18)21-14-19(22)23/h4-11,21H,12-14H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one?
1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82156906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).