7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride

C17H21Cl3N4O — CID 127034913

IUPAC7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride
SMILESCNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1.Cl.Cl.Cl
InChIInChI=1S/C17H18N4O.3ClH/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12;;;/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21);3*1H
InChIKeyRDBIEICONZKFIZ-UHFFFAOYSA-N
MW403.74 g/mol
LogP3.78
Rot. Bonds5

About 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride

7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride (PubChem CID 127034913) has the molecular formula C17H21Cl3N4O and a molecular weight of 403.74 g/mol. Its IUPAC name is 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride.

Molecular Properties

Compound Name7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride
PubChem CID127034913
Molecular FormulaC17H21Cl3N4O
Molecular Weight403.74 g/mol
Exact Mass402.08
IUPAC Name7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride
SMILESCNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1.Cl.Cl.Cl
InChIInChI=1S/C17H18N4O.3ClH/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12;;;/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21);3*1H
InChIKeyRDBIEICONZKFIZ-UHFFFAOYSA-N
XLogP3.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.74
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
CID 127035374
7-[[3-[2-[6-(methylamino)-2-pyridinyl]ethyl]phenoxy]methyl]quinolin-2-amine
CID 170195520
7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine
CID 118579721
7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine
CID 127034804
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
CID 107387617
2-[(2-aminoquinolin-7-yl)methoxy]ethanol
CID 11378974
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
7-(methylaminomethyl)-3-phosphanylquinolin-2-amine
CID 171501697
3-chloro-7-(methylaminomethyl)quinolin-2-amine
CID 171501431
[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol
CID 171501890
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride?
The IUPAC name of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride (CID 127034913) is 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride.
What is the SMILES notation for 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride?
The canonical SMILES for 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride is CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1.Cl.Cl.Cl.
What is the InChIKey of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride?
The InChIKey is RDBIEICONZKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.3ClH/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12;;;/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21);3*1H.
What are the key properties of 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride?
7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride has a molecular weight of 403.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride is sourced from PubChem (CID 127034913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).