N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide

C23H26N4O4 — CID 135626668

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide
SMILESCOc1ccc(CN(C)C(=O)CCCOc2cccc3c2CN2CC(=O)NC2=N3)cc1
InChIInChI=1S/C23H26N4O4/c1-26(13-16-8-10-17(30-2)11-9-16)22(29)7-4-12-31-20-6-3-5-19-18(20)14-27-15-21(28)25-23(27)24-19/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,25,28)
InChIKeyMGIXJWAPHWTVIQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.45
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide

N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide (PubChem CID 135626668) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide
PubChem CID135626668
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide
SMILESCOc1ccc(CN(C)C(=O)CCCOc2cccc3c2CN2CC(=O)NC2=N3)cc1
InChIInChI=1S/C23H26N4O4/c1-26(13-16-8-10-17(30-2)11-9-16)22(29)7-4-12-31-20-6-3-5-19-18(20)14-27-15-21(28)25-23(27)24-19/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,25,28)
InChIKeyMGIXJWAPHWTVIQ-UHFFFAOYSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626852
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-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
CID 135626702
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 32754685
N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]pentanamide
CID 135626518
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155126
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide (CID 135626668) is N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide is COc1ccc(CN(C)C(=O)CCCOc2cccc3c2CN2CC(=O)NC2=N3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide?
The InChIKey is MGIXJWAPHWTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-26(13-16-8-10-17(30-2)11-9-16)22(29)7-4-12-31-20-6-3-5-19-18(20)14-27-15-21(28)25-23(27)24-19/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,25,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide has a molecular weight of 422.49 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide is sourced from PubChem (CID 135626668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).