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

C16H23N3O2 — CID 3171691

IUPAC3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CNCCN(C)C)cc2c1
InChIInChI=1S/C16H23N3O2/c1-4-21-14-5-6-15-12(10-14)9-13(16(20)18-15)11-17-7-8-19(2)3/h5-6,9-10,17H,4,7-8,11H2,1-3H3,(H,18,20)
InChIKeyGLCGXXIEBOQSQU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.58
Rot. Bonds7

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

3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 3171691) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
PubChem CID3171691
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CNCCN(C)C)cc2c1
InChIInChI=1S/C16H23N3O2/c1-4-21-14-5-6-15-12(10-14)9-13(16(20)18-15)11-17-7-8-19(2)3/h5-6,9-10,17H,4,7-8,11H2,1-3H3,(H,18,20)
InChIKeyGLCGXXIEBOQSQU-UHFFFAOYSA-N
XLogP1.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.58
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

6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
1-[2-(dimethylamino)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172592
1-[2-(diethylamino)ethyl]-3-[3-(dimethylamino)propyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3174073
1-[2-(dimethylamino)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea
CID 3172604
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1138319
6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
CID 56714540
(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95220563
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[3-(dimethylamino)propyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea
CID 3186408

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one (CID 3171691) is 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CNCCN(C)C)cc2c1.
What is the InChIKey of 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is GLCGXXIEBOQSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-21-14-5-6-15-12(10-14)9-13(16(20)18-15)11-17-7-8-19(2)3/h5-6,9-10,17H,4,7-8,11H2,1-3H3,(H,18,20).
What are the key properties of 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3171691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).