3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one

C18H22N2O — CID 82189118

IUPAC3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cccc(-n2c3c(cc(CN)c2=O)CCCC3)c1C
InChIInChI=1S/C18H22N2O/c1-12-6-5-9-16(13(12)2)20-17-8-4-3-7-14(17)10-15(11-19)18(20)21/h5-6,9-10H,3-4,7-8,11,19H2,1-2H3
InChIKeyFLUWHYAHIWYLST-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.79
Rot. Bonds2

About 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one

3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82189118) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82189118
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cccc(-n2c3c(cc(CN)c2=O)CCCC3)c1C
InChIInChI=1S/C18H22N2O/c1-12-6-5-9-16(13(12)2)20-17-8-4-3-7-14(17)10-15(11-19)18(20)21/h5-6,9-10H,3-4,7-8,11,19H2,1-2H3
InChIKeyFLUWHYAHIWYLST-UHFFFAOYSA-N
XLogP2.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 82189118) is 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one is Cc1cccc(-n2c3c(cc(CN)c2=O)CCCC3)c1C.
What is the InChIKey of 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is FLUWHYAHIWYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-6-5-9-16(13(12)2)20-17-8-4-3-7-14(17)10-15(11-19)18(20)21/h5-6,9-10H,3-4,7-8,11,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one?
3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 282.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82189118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).