3-(2-aminoethyl)-1,7-dimethylquinolin-2-one

C13H16N2O — CID 115029633

IUPAC3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
SMILESCc1ccc2cc(CCN)c(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-10-8-11(5-6-14)13(16)15(2)12(10)7-9/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyNCXINNUKOISRNR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.35
Rot. Bonds2

About 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one

3-(2-aminoethyl)-1,7-dimethylquinolin-2-one (PubChem CID 115029633) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
PubChem CID115029633
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
SMILESCc1ccc2cc(CCN)c(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-10-8-11(5-6-14)13(16)15(2)12(10)7-9/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyNCXINNUKOISRNR-UHFFFAOYSA-N
XLogP1.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
CID 84631405
3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 115031918
3-(hydroxymethyl)-1,7-dimethylquinolin-2-one
CID 18802191
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
CID 84637230
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309
7-chloro-1-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 56860890
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 116985074

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one?
The IUPAC name of 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one (CID 115029633) is 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one is Cc1ccc2cc(CCN)c(=O)n(C)c2c1.
What is the InChIKey of 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one?
The InChIKey is NCXINNUKOISRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-4-10-8-11(5-6-14)13(16)15(2)12(10)7-9/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one?
3-(2-aminoethyl)-1,7-dimethylquinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,7-dimethylquinolin-2-one is sourced from PubChem (CID 115029633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).