3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide

C16H22N4O — CID 106914487

IUPAC3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H22N4O/c1-11(16(21)18-2)10-20(3)15-12(8-17)9-19-14-7-5-4-6-13(14)15/h4-7,9,11H,8,10,17H2,1-3H3,(H,18,21)
InChIKeyFUUWEWXWCQCALC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.51
Rot. Bonds5

About 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide

3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914487) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106914487
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H22N4O/c1-11(16(21)18-2)10-20(3)15-12(8-17)9-19-14-7-5-4-6-13(14)15/h4-7,9,11H,8,10,17H2,1-3H3,(H,18,21)
InChIKeyFUUWEWXWCQCALC-UHFFFAOYSA-N
XLogP1.51
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide (CID 106914487) is 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1c(CN)cnc2ccccc12.
What is the InChIKey of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is FUUWEWXWCQCALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(16(21)18-2)10-20(3)15-12(8-17)9-19-14-7-5-4-6-13(14)15/h4-7,9,11H,8,10,17H2,1-3H3,(H,18,21).
What are the key properties of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide?
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).