3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one

C15H20N2O2 — CID 696535

IUPAC3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1
InChIInChI=1S/C15H20N2O2/c1-5-19-11-6-7-14-12(8-11)15(18)13(9-17(3)4)10(2)16-14/h6-8H,5,9H2,1-4H3,(H,16,18)
InChIKeyYQORSFPPGHJQDF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds4

About 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one

3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one (PubChem CID 696535) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
PubChem CID696535
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1
InChIInChI=1S/C15H20N2O2/c1-5-19-11-6-7-14-12(8-11)15(18)13(9-17(3)4)10(2)16-14/h6-8H,5,9H2,1-4H3,(H,16,18)
InChIKeyYQORSFPPGHJQDF-UHFFFAOYSA-N
XLogP2.30
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one (CID 696535) is 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one is CCOc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is YQORSFPPGHJQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-19-11-6-7-14-12(8-11)15(18)13(9-17(3)4)10(2)16-14/h6-8H,5,9H2,1-4H3,(H,16,18).
What are the key properties of 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one?
3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 696535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).