4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one

C11H12N2O2 — CID 115023405

IUPAC4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CN)c2cccc(O)c21
InChIInChI=1S/C11H12N2O2/c1-13-10(15)5-7(6-12)8-3-2-4-9(14)11(8)13/h2-5,14H,6,12H2,1H3
InChIKeyTUAFLHNBWRRGKH-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.70
Rot. Bonds1

About 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one

4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one (PubChem CID 115023405) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
PubChem CID115023405
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CN)c2cccc(O)c21
InChIInChI=1S/C11H12N2O2/c1-13-10(15)5-7(6-12)8-3-2-4-9(14)11(8)13/h2-5,14H,6,12H2,1H3
InChIKeyTUAFLHNBWRRGKH-UHFFFAOYSA-N
XLogP0.70
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-6-hydroxy-1-methylquinolin-2-one
CID 115023409
2-bromo-1,3-dimethylindol-7-ol
CID 117127883
8-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-hydroxy-1-methylquinolin-2-one
CID 54695547
5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 115007397
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731
[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
4-(hydroxymethyl)-1,6,8-trimethylfuro[2,3-h]quinolin-2-one
CID 10332682
8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione
CID 117263377
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
10-hydroxy-1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,8-dione
CID 69004958
(1-methyl-3-nitroindol-7-yl)methanamine
CID 83882353

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one (CID 115023405) is 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one is Cn1c(=O)cc(CN)c2cccc(O)c21.
What is the InChIKey of 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one?
The InChIKey is TUAFLHNBWRRGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-10(15)5-7(6-12)8-3-2-4-9(14)11(8)13/h2-5,14H,6,12H2,1H3.
What are the key properties of 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one?
4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 115023405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).