N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide

C25H30N4O3 — CID 135626852

IUPACN-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
SMILESCN(Cc1ccccc1)C(=O)CCCCCCOc1cccc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C25H30N4O3/c1-28(16-19-10-5-4-6-11-19)24(31)14-7-2-3-8-15-32-22-13-9-12-21-20(22)17-29-18-23(30)27-25(29)26-21/h4-6,9-13H,2-3,7-8,14-18H2,1H3,(H,26,27,30)
InChIKeyDLVWDWONNQATIB-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.61
Rot. Bonds10

About N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide

N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide (PubChem CID 135626852) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
PubChem CID135626852
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
SMILESCN(Cc1ccccc1)C(=O)CCCCCCOc1cccc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C25H30N4O3/c1-28(16-19-10-5-4-6-11-19)24(31)14-7-2-3-8-15-32-22-13-9-12-21-20(22)17-29-18-23(30)27-25(29)26-21/h4-6,9-13H,2-3,7-8,14-18H2,1H3,(H,26,27,30)
InChIKeyDLVWDWONNQATIB-UHFFFAOYSA-N
XLogP3.61
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide
CID 135626668
N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626803
N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
CID 135626702
N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
CID 135973968
N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide
CID 135626503
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-benzyl-N-methylpentanamide
CID 4629611
N-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
CID 135626469

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
The IUPAC name of N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide (CID 135626852) is N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide.
What is the SMILES notation for N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
The canonical SMILES for N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide is CN(Cc1ccccc1)C(=O)CCCCCCOc1cccc2c1CN1CC(=O)NC1=N2.
What is the InChIKey of N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
The InChIKey is DLVWDWONNQATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-28(16-19-10-5-4-6-11-19)24(31)14-7-2-3-8-15-32-22-13-9-12-21-20(22)17-29-18-23(30)27-25(29)26-21/h4-6,9-13H,2-3,7-8,14-18H2,1H3,(H,26,27,30).
What are the key properties of N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide has a molecular weight of 434.54 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide is sourced from PubChem (CID 135626852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).