(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol

C17H19NO — CID 125493981

IUPAC(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol
SMILESCN1CC[C@@](O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19NO/c1-18-12-11-17(19,13-14-7-3-2-4-8-14)15-9-5-6-10-16(15)18/h2-10,19H,11-13H2,1H3/t17-/m1/s1
InChIKeyFNVGPRZHDCIJJR-QGZVFWFLSA-N
MW253.35 g/mol
LogP2.96
Rot. Bonds2

About (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol

(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol (PubChem CID 125493981) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol.

Molecular Properties

Compound Name(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol
PubChem CID125493981
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol
SMILESCN1CC[C@@](O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H19NO/c1-18-12-11-17(19,13-14-7-3-2-4-8-14)15-9-5-6-10-16(15)18/h2-10,19H,11-13H2,1H3/t17-/m1/s1
InChIKeyFNVGPRZHDCIJJR-QGZVFWFLSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol?
The IUPAC name of (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol (CID 125493981) is (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol.
What is the SMILES notation for (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol?
The canonical SMILES for (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol is CN1CC[C@@](O)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol?
The InChIKey is FNVGPRZHDCIJJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-12-11-17(19,13-14-7-3-2-4-8-14)15-9-5-6-10-16(15)18/h2-10,19H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol?
(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol has a molecular weight of 253.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol is sourced from PubChem (CID 125493981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).