1-[(2-methylquinolin-5-yl)amino]propan-2-ol

C13H16N2O — CID 68606423

IUPAC1-[(2-methylquinolin-5-yl)amino]propan-2-ol
SMILESCc1ccc2c(NCC(C)O)cccc2n1
InChIInChI=1S/C13H16N2O/c1-9-6-7-11-12(14-8-10(2)16)4-3-5-13(11)15-9/h3-7,10,14,16H,8H2,1-2H3
InChIKeyDAENUJYHLICSRC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.34
Rot. Bonds3

About 1-[(2-methylquinolin-5-yl)amino]propan-2-ol

1-[(2-methylquinolin-5-yl)amino]propan-2-ol (PubChem CID 68606423) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(2-methylquinolin-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylquinolin-5-yl)amino]propan-2-ol
PubChem CID68606423
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[(2-methylquinolin-5-yl)amino]propan-2-ol
SMILESCc1ccc2c(NCC(C)O)cccc2n1
InChIInChI=1S/C13H16N2O/c1-9-6-7-11-12(14-8-10(2)16)4-3-5-13(11)15-9/h3-7,10,14,16H,8H2,1-2H3
InChIKeyDAENUJYHLICSRC-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(2-methylquinolin-5-yl)amino]propan-2-ol (CID 68606423) is 1-[(2-methylquinolin-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-methylquinolin-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-methylquinolin-5-yl)amino]propan-2-ol is Cc1ccc2c(NCC(C)O)cccc2n1.
What is the InChIKey of 1-[(2-methylquinolin-5-yl)amino]propan-2-ol?
The InChIKey is DAENUJYHLICSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-6-7-11-12(14-8-10(2)16)4-3-5-13(11)15-9/h3-7,10,14,16H,8H2,1-2H3.
What are the key properties of 1-[(2-methylquinolin-5-yl)amino]propan-2-ol?
1-[(2-methylquinolin-5-yl)amino]propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-5-yl)amino]propan-2-ol is sourced from PubChem (CID 68606423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).