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

C18H26N3O2+ — CID 7221290

IUPACN-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
SMILESCCOc1ccc2[nH+]c(NCCNC(=O)C(C)C)c(C)cc2c1
InChIInChI=1S/C18H25N3O2/c1-5-23-15-6-7-16-14(11-15)10-13(4)17(21-16)19-8-9-20-18(22)12(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,21)(H,20,22)/p+1
InChIKeyNVSSWJXYQKJTMY-UHFFFAOYSA-O
MW316.43 g/mol
LogP2.55
Rot. Bonds7

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

N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide (PubChem CID 7221290) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
PubChem CID7221290
Molecular FormulaC18H26N3O2+
Molecular Weight316.43 g/mol
Exact Mass316.20
IUPAC NameN-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
SMILESCCOc1ccc2[nH+]c(NCCNC(=O)C(C)C)c(C)cc2c1
InChIInChI=1S/C18H25N3O2/c1-5-23-15-6-7-16-14(11-15)10-13(4)17(21-16)19-8-9-20-18(22)12(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,21)(H,20,22)/p+1
InChIKeyNVSSWJXYQKJTMY-UHFFFAOYSA-O
XLogP2.55
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.55
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]butanamide
CID 7402595
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-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]benzenesulfonamide
CID 7219503
(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 94812873
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
N-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 7434779
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide (CID 7221290) is N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide is CCOc1ccc2[nH+]c(NCCNC(=O)C(C)C)c(C)cc2c1.
What is the InChIKey of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide?
The InChIKey is NVSSWJXYQKJTMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O2/c1-5-23-15-6-7-16-14(11-15)10-13(4)17(21-16)19-8-9-20-18(22)12(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,21)(H,20,22)/p+1.
What are the key properties of N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide?
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.55, 7 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]-2-methylpropanamide is sourced from PubChem (CID 7221290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).