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

C22H26N2O2 — CID 58956823

IUPAC1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1ccc2c(c1)[C@@H](N1CCCC1=O)C[C@@H](c1cccc(O)c1)N2
InChIInChI=1S/C22H26N2O2/c1-14(2)15-8-9-19-18(12-15)21(24-10-4-7-22(24)26)13-20(23-19)16-5-3-6-17(25)11-16/h3,5-6,8-9,11-12,14,20-21,23,25H,4,7,10,13H2,1-2H3/t20-,21-/m0/s1
InChIKeyGMJORVAHFXOIAD-SFTDATJTSA-N
MW350.46 g/mol
LogP4.74
Rot. Bonds3

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

1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 58956823) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID58956823
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1ccc2c(c1)[C@@H](N1CCCC1=O)C[C@@H](c1cccc(O)c1)N2
InChIInChI=1S/C22H26N2O2/c1-14(2)15-8-9-19-18(12-15)21(24-10-4-7-22(24)26)13-20(23-19)16-5-3-6-17(25)11-16/h3,5-6,8-9,11-12,14,20-21,23,25H,4,7,10,13H2,1-2H3/t20-,21-/m0/s1
InChIKeyGMJORVAHFXOIAD-SFTDATJTSA-N
XLogP4.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 58956823) is 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is CC(C)c1ccc2c(c1)[C@@H](N1CCCC1=O)C[C@@H](c1cccc(O)c1)N2.
What is the InChIKey of 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is GMJORVAHFXOIAD-SFTDATJTSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14(2)15-8-9-19-18(12-15)21(24-10-4-7-22(24)26)13-20(23-19)16-5-3-6-17(25)11-16/h3,5-6,8-9,11-12,14,20-21,23,25H,4,7,10,13H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 58956823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).