3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol

C13H16N2O2 — CID 168596036

IUPAC3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol
SMILESCc1ccc2cccnc2c1NCC(O)CO
InChIInChI=1S/C13H16N2O2/c1-9-4-5-10-3-2-6-14-13(10)12(9)15-7-11(17)8-16/h2-6,11,15-17H,7-8H2,1H3
InChIKeyAPCYOROLSHWOMI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.31
Rot. Bonds4

About 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol

3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol (PubChem CID 168596036) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol
PubChem CID168596036
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol
SMILESCc1ccc2cccnc2c1NCC(O)CO
InChIInChI=1S/C13H16N2O2/c1-9-4-5-10-3-2-6-14-13(10)12(9)15-7-11(17)8-16/h2-6,11,15-17H,7-8H2,1H3
InChIKeyAPCYOROLSHWOMI-UHFFFAOYSA-N
XLogP1.31
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol (CID 168596036) is 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol is Cc1ccc2cccnc2c1NCC(O)CO.
What is the InChIKey of 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol?
The InChIKey is APCYOROLSHWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-5-10-3-2-6-14-13(10)12(9)15-7-11(17)8-16/h2-6,11,15-17H,7-8H2,1H3.
What are the key properties of 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol?
3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol has a molecular weight of 232.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol is sourced from PubChem (CID 168596036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).