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

C19H20N2O2 — CID 18433090

IUPAC3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O2/c1-13-6-8-14(9-7-13)18-10-19(20-11-15(23)12-22)16-4-2-3-5-17(16)21-18/h2-10,15,22-23H,11-12H2,1H3,(H,20,21)
InChIKeyXZWNGTTUMQNTDT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.98
Rot. Bonds5

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

3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol (PubChem CID 18433090) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
PubChem CID18433090
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O2/c1-13-6-8-14(9-7-13)18-10-19(20-11-15(23)12-22)16-4-2-3-5-17(16)21-18/h2-10,15,22-23H,11-12H2,1H3,(H,20,21)
InChIKeyXZWNGTTUMQNTDT-UHFFFAOYSA-N
XLogP2.98
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol (CID 18433090) is 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol is Cc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The InChIKey is XZWNGTTUMQNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-6-8-14(9-7-13)18-10-19(20-11-15(23)12-22)16-4-2-3-5-17(16)21-18/h2-10,15,22-23H,11-12H2,1H3,(H,20,21).
What are the key properties of 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol has a molecular weight of 308.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 18433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).