3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one

C14H18N2O3 — CID 84638829

IUPAC3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
SMILESCOc1cc(OC)c2c(C)c(CN)c(=O)n(C)c2c1
InChIInChI=1S/C14H18N2O3/c1-8-10(7-15)14(17)16(2)11-5-9(18-3)6-12(19-4)13(8)11/h5-6H,7,15H2,1-4H3
InChIKeyZXRYFYDRAICVMB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds3

About 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one

3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one (PubChem CID 84638829) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
PubChem CID84638829
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
SMILESCOc1cc(OC)c2c(C)c(CN)c(=O)n(C)c2c1
InChIInChI=1S/C14H18N2O3/c1-8-10(7-15)14(17)16(2)11-5-9(18-3)6-12(19-4)13(8)11/h5-6H,7,15H2,1-4H3
InChIKeyZXRYFYDRAICVMB-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one (CID 84638829) is 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one is COc1cc(OC)c2c(C)c(CN)c(=O)n(C)c2c1.
What is the InChIKey of 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one?
The InChIKey is ZXRYFYDRAICVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-10(7-15)14(17)16(2)11-5-9(18-3)6-12(19-4)13(8)11/h5-6H,7,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one?
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 84638829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).