[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol

C13H19N3O2 — CID 171501890

IUPAC[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol
SMILESCNCc1ccc2c(CO)cc(N)nc2c1.CO
InChIInChI=1S/C12H15N3O.CH4O/c1-14-6-8-2-3-10-9(7-16)5-12(13)15-11(10)4-8;1-2/h2-5,14,16H,6-7H2,1H3,(H2,13,15);2H,1H3
InChIKeyFYAKPUNSCTVMOC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.64
Rot. Bonds3

About [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol

[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol (PubChem CID 171501890) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol.

Molecular Properties

Compound Name[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol
PubChem CID171501890
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol
SMILESCNCc1ccc2c(CO)cc(N)nc2c1.CO
InChIInChI=1S/C12H15N3O.CH4O/c1-14-6-8-2-3-10-9(7-16)5-12(13)15-11(10)4-8;1-2/h2-5,14,16H,6-7H2,1H3,(H2,13,15);2H,1H3
InChIKeyFYAKPUNSCTVMOC-UHFFFAOYSA-N
XLogP0.64
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol?
The IUPAC name of [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol (CID 171501890) is [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol.
What is the SMILES notation for [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol?
The canonical SMILES for [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol is CNCc1ccc2c(CO)cc(N)nc2c1.CO.
What is the InChIKey of [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol?
The InChIKey is FYAKPUNSCTVMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.CH4O/c1-14-6-8-2-3-10-9(7-16)5-12(13)15-11(10)4-8;1-2/h2-5,14,16H,6-7H2,1H3,(H2,13,15);2H,1H3.
What are the key properties of [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol?
[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol has a molecular weight of 249.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol is sourced from PubChem (CID 171501890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).