3-(aminomethyl)-2-ethyl-3H-quinolin-4-one

C12H14N2O — CID 152575115

IUPAC3-(aminomethyl)-2-ethyl-3H-quinolin-4-one
SMILESCCC1=Nc2ccccc2C(=O)C1CN
InChIInChI=1S/C12H14N2O/c1-2-10-9(7-13)12(15)8-5-3-4-6-11(8)14-10/h3-6,9H,2,7,13H2,1H3
InChIKeyYSHSXRLGHVDPHT-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.94
Rot. Bonds2

About 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one

3-(aminomethyl)-2-ethyl-3H-quinolin-4-one (PubChem CID 152575115) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-2-ethyl-3H-quinolin-4-one
PubChem CID152575115
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(aminomethyl)-2-ethyl-3H-quinolin-4-one
SMILESCCC1=Nc2ccccc2C(=O)C1CN
InChIInChI=1S/C12H14N2O/c1-2-10-9(7-13)12(15)8-5-3-4-6-11(8)14-10/h3-6,9H,2,7,13H2,1H3
InChIKeyYSHSXRLGHVDPHT-UHFFFAOYSA-N
XLogP1.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one?
The IUPAC name of 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one (CID 152575115) is 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one.
What is the SMILES notation for 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one?
The canonical SMILES for 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one is CCC1=Nc2ccccc2C(=O)C1CN.
What is the InChIKey of 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one?
The InChIKey is YSHSXRLGHVDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-10-9(7-13)12(15)8-5-3-4-6-11(8)14-10/h3-6,9H,2,7,13H2,1H3.
What are the key properties of 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one?
3-(aminomethyl)-2-ethyl-3H-quinolin-4-one has a molecular weight of 202.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-ethyl-3H-quinolin-4-one is sourced from PubChem (CID 152575115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).