4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one

C13H17N3O — CID 81237815

IUPAC4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one
SMILESCN(CCN)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-15(8-7-14)12-9-13(17)16(2)11-6-4-3-5-10(11)12/h3-6,9H,7-8,14H2,1-2H3
InChIKeyQZUKRJNKEZQIOJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.93
Rot. Bonds3

About 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one

4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one (PubChem CID 81237815) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one
PubChem CID81237815
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one
SMILESCN(CCN)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-15(8-7-14)12-9-13(17)16(2)11-6-4-3-5-10(11)12/h3-6,9H,7-8,14H2,1-2H3
InChIKeyQZUKRJNKEZQIOJ-UHFFFAOYSA-N
XLogP0.93
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one?
The IUPAC name of 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one (CID 81237815) is 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one is CN(CCN)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one?
The InChIKey is QZUKRJNKEZQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15(8-7-14)12-9-13(17)16(2)11-6-4-3-5-10(11)12/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one?
4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(methyl)amino]-1-methylquinolin-2-one is sourced from PubChem (CID 81237815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).