N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide

C26H30N5O3+ — CID 23041895

IUPACN-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide
SMILESO=C(CCCOc1ccc2nc3c(cc2c1)[N+](=O)CN3)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N5O3/c32-25(28-21-10-12-30(13-11-21)17-19-5-2-1-3-6-19)7-4-14-34-22-8-9-23-20(15-22)16-24-26(29-23)27-18-31(24)33/h1-3,5-6,8-9,15-16,21H,4,7,10-14,17-18H2,(H-,27,28,29,32,33)/p+1
InChIKeyOUBQAMLJZZNTAQ-UHFFFAOYSA-O
MW460.56 g/mol
LogP3.97
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide

N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide (PubChem CID 23041895) has the molecular formula C26H30N5O3+ and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide
PubChem CID23041895
Molecular FormulaC26H30N5O3+
Molecular Weight460.56 g/mol
Exact Mass460.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide
SMILESO=C(CCCOc1ccc2nc3c(cc2c1)[N+](=O)CN3)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N5O3/c32-25(28-21-10-12-30(13-11-21)17-19-5-2-1-3-6-19)7-4-14-34-22-8-9-23-20(15-22)16-24-26(29-23)27-18-31(24)33/h1-3,5-6,8-9,15-16,21H,4,7,10-14,17-18H2,(H-,27,28,29,32,33)/p+1
InChIKeyOUBQAMLJZZNTAQ-UHFFFAOYSA-O
XLogP3.97
TPSA86.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide
CID 17176588
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide (CID 23041895) is N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide is O=C(CCCOc1ccc2nc3c(cc2c1)[N+](=O)CN3)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide?
The InChIKey is OUBQAMLJZZNTAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H29N5O3/c32-25(28-21-10-12-30(13-11-21)17-19-5-2-1-3-6-19)7-4-14-34-22-8-9-23-20(15-22)16-24-26(29-23)27-18-31(24)33/h1-3,5-6,8-9,15-16,21H,4,7,10-14,17-18H2,(H-,27,28,29,32,33)/p+1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide?
N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide has a molecular weight of 460.56 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[(1-oxo-2,3-dihydroimidazo[4,5-b]quinolin-1-ium-7-yl)oxy]butanamide is sourced from PubChem (CID 23041895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).