2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium

C16H25N3O2+2 — CID 7108504

IUPAC2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium
SMILESCCOc1ccc2[nH]c(=O)c(C[NH2+]CC[NH+](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)/p+2
InChIKeyGLCGXXIEBOQSQU-UHFFFAOYSA-P
MW291.40 g/mol
LogP-0.87
Rot. Bonds7

About 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium

2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium (PubChem CID 7108504) has the molecular formula C16H25N3O2+2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium
PubChem CID7108504
Molecular FormulaC16H25N3O2+2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium
SMILESCCOc1ccc2[nH]c(=O)c(C[NH2+]CC[NH+](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)/p+2
InChIKeyGLCGXXIEBOQSQU-UHFFFAOYSA-P
XLogP-0.87
TPSA63.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethylazanium
CID 7108820
(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7107871
6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
CID 56714540
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835
(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95220563
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium?
The IUPAC name of 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium (CID 7108504) is 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium is CCOc1ccc2[nH]c(=O)c(C[NH2+]CC[NH+](C)C)cc2c1.
What is the InChIKey of 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium?
The InChIKey is GLCGXXIEBOQSQU-UHFFFAOYSA-P. 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)/p+2.
What are the key properties of 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium?
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium has a molecular weight of 291.40 g/mol, XLogP of -0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium is sourced from PubChem (CID 7108504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).