N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide

C18H26N3O2+ — CID 7402595

IUPACN-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1[nH+]c2ccc(OCC)cc2cc1C
InChIInChI=1S/C18H25N3O2/c1-4-6-17(22)19-9-10-20-18-13(3)11-14-12-15(23-5-2)7-8-16(14)21-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,22)(H,20,21)/p+1
InChIKeyFRWSMBVZYRFMQH-UHFFFAOYSA-O
MW316.43 g/mol
LogP2.69
Rot. Bonds8

About N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide

N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide (PubChem CID 7402595) has the molecular formula C18H26N3O2+ and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide
PubChem CID7402595
Molecular FormulaC18H26N3O2+
Molecular Weight316.43 g/mol
Exact Mass316.20
IUPAC NameN-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1[nH+]c2ccc(OCC)cc2cc1C
InChIInChI=1S/C18H25N3O2/c1-4-6-17(22)19-9-10-20-18-13(3)11-14-12-15(23-5-2)7-8-16(14)21-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,22)(H,20,21)/p+1
InChIKeyFRWSMBVZYRFMQH-UHFFFAOYSA-O
XLogP2.69
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
CID 7221290
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide
CID 3213315
N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]morpholine-4-carboxamide
CID 7391212
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 652221
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]benzenesulfonamide
CID 7219503
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79518268
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3,3-dimethylbutanamide
CID 44754257

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide?
The IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide (CID 7402595) is N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide?
The canonical SMILES for N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide is CCCC(=O)NCCNc1[nH+]c2ccc(OCC)cc2cc1C.
What is the InChIKey of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide?
The InChIKey is FRWSMBVZYRFMQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O2/c1-4-6-17(22)19-9-10-20-18-13(3)11-14-12-15(23-5-2)7-8-16(14)21-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,22)(H,20,21)/p+1.
What are the key properties of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide?
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide has a molecular weight of 316.43 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide is sourced from PubChem (CID 7402595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).