7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine

C18H20N4 — CID 118579721

IUPAC7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine
SMILESCNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)
InChIKeyQAWVGIYSTBKHJQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.15
Rot. Bonds5

About 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine

7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine (PubChem CID 118579721) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine
PubChem CID118579721
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine
SMILESCNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)
InChIKeyQAWVGIYSTBKHJQ-UHFFFAOYSA-N
XLogP3.15
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine
CID 171501156
7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride
CID 127034913
7-(methylaminomethyl)-3-phosphanylquinolin-2-amine
CID 171501697
3-chloro-7-(methylaminomethyl)quinolin-2-amine
CID 171501431
ethane;methane;7-(4-phenylbutyl)quinolin-2-amine
CID 158161287
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095
N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol
CID 171501890
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
N-[(2-methylquinolin-6-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
CID 124621316

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine (CID 118579721) is 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine is CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine?
The InChIKey is QAWVGIYSTBKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22).
What are the key properties of 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine?
7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine is sourced from PubChem (CID 118579721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).