3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol

C19H20N2O3 — CID 18432991

IUPAC3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCOc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-15-8-6-13(7-9-15)18-10-19(20-11-14(23)12-22)16-4-2-3-5-17(16)21-18/h2-10,14,22-23H,11-12H2,1H3,(H,20,21)
InChIKeyUOIOPSUOYHJLGS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.68
Rot. Bonds6

About 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol

3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol (PubChem CID 18432991) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol
PubChem CID18432991
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCOc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-15-8-6-13(7-9-15)18-10-19(20-11-14(23)12-22)16-4-2-3-5-17(16)21-18/h2-10,14,22-23H,11-12H2,1H3,(H,20,21)
InChIKeyUOIOPSUOYHJLGS-UHFFFAOYSA-N
XLogP2.68
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol 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 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol (CID 18432991) is 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol is COc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The InChIKey is UOIOPSUOYHJLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-15-8-6-13(7-9-15)18-10-19(20-11-14(23)12-22)16-4-2-3-5-17(16)21-18/h2-10,14,22-23H,11-12H2,1H3,(H,20,21).
What are the key properties of 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol?
3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol has a molecular weight of 324.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 18432991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).