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

C15H20N2O2 — CID 78993327

IUPAC1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol
SMILESCOCC(O)CNCc1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11-7-12(8-16-9-13(18)10-19-2)14-5-3-4-6-15(14)17-11/h3-7,13,16,18H,8-10H2,1-2H3
InChIKeyOMFIKEOAPJXPCX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds6

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

1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol (PubChem CID 78993327) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol
PubChem CID78993327
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol
SMILESCOCC(O)CNCc1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11-7-12(8-16-9-13(18)10-19-2)14-5-3-4-6-15(14)17-11/h3-7,13,16,18H,8-10H2,1-2H3
InChIKeyOMFIKEOAPJXPCX-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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Related Compounds

3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
CID 106187151
1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
CID 111425237
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764108
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
1-[(2,3-dimethylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 75503246
1-[(6-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394039
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol (CID 78993327) is 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol is COCC(O)CNCc1cc(C)nc2ccccc12.
What is the InChIKey of 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol?
The InChIKey is OMFIKEOAPJXPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-7-12(8-16-9-13(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 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol?
1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-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 1-methoxy-3-[(2-methylquinolin-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 78993327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).