(5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one

C17H17NO3 — CID 146683962

IUPAC(5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one
SMILESCc1cc2c(c(C)n1)C(=O)c1c(ccc(C)c1O)[C@@]2(C)O
InChIInChI=1S/C17H17NO3/c1-8-5-6-11-14(15(8)19)16(20)13-10(3)18-9(2)7-12(13)17(11,4)21/h5-7,19,21H,1-4H3/t17-/m1/s1
InChIKeyGTLFRJKAROJZPU-QGZVFWFLSA-N
MW283.33 g/mol
LogP2.51
Rot. Bonds

About (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one

(5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one (PubChem CID 146683962) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one.

Molecular Properties

Compound Name(5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one
PubChem CID146683962
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one
SMILESCc1cc2c(c(C)n1)C(=O)c1c(ccc(C)c1O)[C@@]2(C)O
InChIInChI=1S/C17H17NO3/c1-8-5-6-11-14(15(8)19)16(20)13-10(3)18-9(2)7-12(13)17(11,4)21/h5-7,19,21H,1-4H3/t17-/m1/s1
InChIKeyGTLFRJKAROJZPU-QGZVFWFLSA-N
XLogP2.51
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one 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 (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one?
The IUPAC name of (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one (CID 146683962) is (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one.
What is the SMILES notation for (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one?
The canonical SMILES for (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one is Cc1cc2c(c(C)n1)C(=O)c1c(ccc(C)c1O)[C@@]2(C)O.
What is the InChIKey of (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one?
The InChIKey is GTLFRJKAROJZPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO3/c1-8-5-6-11-14(15(8)19)16(20)13-10(3)18-9(2)7-12(13)17(11,4)21/h5-7,19,21H,1-4H3/t17-/m1/s1.
What are the key properties of (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one?
(5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one has a molecular weight of 283.33 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,9-dihydroxy-1,3,5,8-tetramethylbenzo[g]isoquinolin-10-one is sourced from PubChem (CID 146683962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).