4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide

C26H38N4O4 — CID 135626645

IUPAC4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCOc1ccc2nc3n(c(=O)c2c1)CC(=O)N3
InChIInChI=1S/C26H38N4O4/c1-3-5-7-9-15-29(16-10-8-6-4-2)24(32)12-11-17-34-20-13-14-22-21(18-20)25(33)30-19-23(31)28-26(30)27-22/h13-14,18H,3-12,15-17,19H2,1-2H3,(H,27,28,31)
InChIKeyREDYGQUHCRXLJP-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.50
Rot. Bonds15

About 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide

4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide (PubChem CID 135626645) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide.

Molecular Properties

Compound Name4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide
PubChem CID135626645
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCOc1ccc2nc3n(c(=O)c2c1)CC(=O)N3
InChIInChI=1S/C26H38N4O4/c1-3-5-7-9-15-29(16-10-8-6-4-2)24(32)12-11-17-34-20-13-14-22-21(18-20)25(33)30-19-23(31)28-26(30)27-22/h13-14,18H,3-12,15-17,19H2,1-2H3,(H,27,28,31)
InChIKeyREDYGQUHCRXLJP-UHFFFAOYSA-N
XLogP4.50
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.50
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-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide
CID 135626606
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
3-[hexyl-[4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanoyl]amino]propyl acetate
CID 135626501
N-cyclohexyl-N-methyl-4-[(2,2,5-trioxo-1,3-dihydro-[1,2,4]thiadiazolo[3,4-b]quinazolin-7-yl)oxy]butanamide
CID 135986072
4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide
CID 135626683
N,N-di(nonyl)octanamide
CID 533141
N,N-di(undecyl)pentanamide
CID 532896
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] heptanoate
CID 59667323
N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 13200337

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide?
The IUPAC name of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide (CID 135626645) is 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide.
What is the SMILES notation for 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide?
The canonical SMILES for 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide is CCCCCCN(CCCCCC)C(=O)CCCOc1ccc2nc3n(c(=O)c2c1)CC(=O)N3.
What is the InChIKey of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide?
The InChIKey is REDYGQUHCRXLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-3-5-7-9-15-29(16-10-8-6-4-2)24(32)12-11-17-34-20-13-14-22-21(18-20)25(33)30-19-23(31)28-26(30)27-22/h13-14,18H,3-12,15-17,19H2,1-2H3,(H,27,28,31).
What are the key properties of 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide?
4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide has a molecular weight of 470.61 g/mol, XLogP of 4.50, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide is sourced from PubChem (CID 135626645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).