[8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate

C23H24N2O5 — CID 140583832

IUPAC[8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate
SMILESCC(=O)On1c(=O)ccc2c([C@@H](O)CNC3(C)Cc4ccccc4C3)ccc(O)c21
InChIInChI=1S/C23H24N2O5/c1-14(26)30-25-21(29)10-8-18-17(7-9-19(27)22(18)25)20(28)13-24-23(2)11-15-5-3-4-6-16(15)12-23/h3-10,20,24,27-28H,11-13H2,1-2H3/t20-/m0/s1
InChIKeyILTSKHMOKKLQNO-FQEVSTJZSA-N
MW408.45 g/mol
LogP1.86
Rot. Bonds5

About [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate

[8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate (PubChem CID 140583832) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate.

Molecular Properties

Compound Name[8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate
PubChem CID140583832
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate
SMILESCC(=O)On1c(=O)ccc2c([C@@H](O)CNC3(C)Cc4ccccc4C3)ccc(O)c21
InChIInChI=1S/C23H24N2O5/c1-14(26)30-25-21(29)10-8-18-17(7-9-19(27)22(18)25)20(28)13-24-23(2)11-15-5-3-4-6-16(15)12-23/h3-10,20,24,27-28H,11-13H2,1-2H3/t20-/m0/s1
InChIKeyILTSKHMOKKLQNO-FQEVSTJZSA-N
XLogP1.86
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate 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 [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate?
The IUPAC name of [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate (CID 140583832) is [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate.
What is the SMILES notation for [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate?
The canonical SMILES for [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate is CC(=O)On1c(=O)ccc2c([C@@H](O)CNC3(C)Cc4ccccc4C3)ccc(O)c21.
What is the InChIKey of [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate?
The InChIKey is ILTSKHMOKKLQNO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14(26)30-25-21(29)10-8-18-17(7-9-19(27)22(18)25)20(28)13-24-23(2)11-15-5-3-4-6-16(15)12-23/h3-10,20,24,27-28H,11-13H2,1-2H3/t20-/m0/s1.
What are the key properties of [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate?
[8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate has a molecular weight of 408.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-hydroxy-5-[(1R)-1-hydroxy-2-[(2-methyl-1,3-dihydroinden-2-yl)amino]ethyl]-2-oxoquinolin-1-yl] acetate is sourced from PubChem (CID 140583832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).