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

C15H20N2O3 — CID 3215146

IUPAC6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CNCCOC)cc2c1
InChIInChI=1S/C15H20N2O3/c1-3-20-13-4-5-14-11(9-13)8-12(15(18)17-14)10-16-6-7-19-2/h4-5,8-9,16H,3,6-7,10H2,1-2H3,(H,17,18)
InChIKeyLQYRZXBPRPBVQD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds7

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

6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one (PubChem CID 3215146) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
PubChem CID3215146
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CNCCOC)cc2c1
InChIInChI=1S/C15H20N2O3/c1-3-20-13-4-5-14-11(9-13)8-12(15(18)17-14)10-16-6-7-19-2/h4-5,8-9,16H,3,6-7,10H2,1-2H3,(H,17,18)
InChIKeyLQYRZXBPRPBVQD-UHFFFAOYSA-N
XLogP1.66
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
1-[2-(dimethylamino)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172592
8-ethyl-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 18525062
6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
CID 56714540
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethylazanium
CID 7108820
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172067
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 18525193
3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one
CID 46950053

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one (CID 3215146) is 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CNCCOC)cc2c1.
What is the InChIKey of 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one?
The InChIKey is LQYRZXBPRPBVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-13-4-5-14-11(9-13)8-12(15(18)17-14)10-16-6-7-19-2/h4-5,8-9,16H,3,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one?
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3215146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).