1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

C23H28N2O2 — CID 58956827

About 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 58956827) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
• PubChem CID: 58956827
• Molecular Formula: C23H28N2O2
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.22
• IUPAC Name: 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
• SMILES: CC(C)(C)c1ccc2c(c1)C(N1CCCC1=O)CC(c1cccc(O)c1)N2
• InChI: InChI=1S/C23H28N2O2/c1-23(2,3)16-9-10-19-18(13-16)21(25-11-5-8-22(25)27)14-20(24-19)15-6-4-7-17(26)12-15/h4,6-7,9-10,12-13,20-21,24,26H,5,8,11,14H2,1-3H3
• InChIKey: UIAISHPURUZRGB-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 58956827) is 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is CC(C)(C)c1ccc2c(c1)C(N1CCCC1=O)CC(c1cccc(O)c1)N2.

What is the InChIKey of 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?

The InChIKey is UIAISHPURUZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)16-9-10-19-18(13-16)21(25-11-5-8-22(25)27)14-20(24-19)15-6-4-7-17(26)12-15/h4,6-7,9-10,12-13,20-21,24,26H,5,8,11,14H2,1-3H3.

What are the key properties of 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?

1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 58956827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).