3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one

C12H14N2O — CID 6487599

IUPAC3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN)cc2c1
InChIInChI=1S/C12H14N2O/c1-7-3-8(2)11-9(4-7)5-10(6-13)12(15)14-11/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyXKPAUVOEFJXNRV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.60
Rot. Bonds1

About 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one

3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 6487599) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
PubChem CID6487599
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN)cc2c1
InChIInChI=1S/C12H14N2O/c1-7-3-8(2)11-9(4-7)5-10(6-13)12(15)14-11/h3-5H,6,13H2,1-2H3,(H,14,15)
InChIKeyXKPAUVOEFJXNRV-UHFFFAOYSA-N
XLogP1.60
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium
CID 7107761
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
CID 110325256
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 56717632
N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 856997
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
CID 110325324
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one (CID 6487599) is 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CN)cc2c1.
What is the InChIKey of 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is XKPAUVOEFJXNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-3-8(2)11-9(4-7)5-10(6-13)12(15)14-11/h3-5H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one?
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 6487599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).