3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one

C11H14N2O — CID 54772600

IUPAC3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(CN)Cc2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-5,9H,6-7,12H2,1H3
InChIKeyHSXDHWILGNLRIZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.78
Rot. Bonds1

About 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one

3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 54772600) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID54772600
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(CN)Cc2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-5,9H,6-7,12H2,1H3
InChIKeyHSXDHWILGNLRIZ-UHFFFAOYSA-N
XLogP0.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 54772600) is 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)C(CN)Cc2ccccc21.
What is the InChIKey of 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is HSXDHWILGNLRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-5,9H,6-7,12H2,1H3.
What are the key properties of 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one?
3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 54772600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).