3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol

C15H20N2O2 — CID 106187151

IUPAC3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11-7-12(8-16-13(9-18)10-19-2)14-5-3-4-6-15(14)17-11/h3-7,13,16,18H,8-10H2,1-2H3
InChIKeyJWTJUGIBRYQGHC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds6

About 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol

3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol (PubChem CID 106187151) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
PubChem CID106187151
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11-7-12(8-16-13(9-18)10-19-2)14-5-3-4-6-15(14)17-11/h3-7,13,16,18H,8-10H2,1-2H3
InChIKeyJWTJUGIBRYQGHC-UHFFFAOYSA-N
XLogP1.64
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol (CID 106187151) is 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol is COCC(CO)NCc1cc(C)nc2ccccc12.
What is the InChIKey of 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol?
The InChIKey is JWTJUGIBRYQGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-7-12(8-16-13(9-18)10-19-2)14-5-3-4-6-15(14)17-11/h3-7,13,16,18H,8-10H2,1-2H3.
What are the key properties of 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol?
3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106187151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).