3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate

C26H36N4O5 — CID 135626539

IUPAC3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate
SMILESCC(=O)OCCCN(C(=O)CCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1
InChIInChI=1S/C26H36N4O5/c1-19(31)34-15-7-13-30(21-8-3-2-4-9-21)25(33)10-5-6-14-35-22-11-12-23-20(16-22)17-29-18-24(32)28-26(29)27-23/h11-12,16,21H,2-10,13-15,17-18H2,1H3,(H,27,28,32)
InChIKeyOAMSDYBGMRPAJL-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.28
Rot. Bonds11

About 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate

3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate (PubChem CID 135626539) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate.

Molecular Properties

Compound Name3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate
PubChem CID135626539
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate
SMILESCC(=O)OCCCN(C(=O)CCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1
InChIInChI=1S/C26H36N4O5/c1-19(31)34-15-7-13-30(21-8-3-2-4-9-21)25(33)10-5-6-14-35-22-11-12-23-20(16-22)17-29-18-24(32)28-26(29)27-23/h11-12,16,21H,2-10,13-15,17-18H2,1H3,(H,27,28,32)
InChIKeyOAMSDYBGMRPAJL-UHFFFAOYSA-N
XLogP3.28
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
CID 135626469
N-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
3-[hexyl-[4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanoyl]amino]propyl acetate
CID 135626501
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
CID 135626550
1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate
CID 135626763
N-(cyclopentylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626766
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
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-cyclohexyl-N-methyl-5-[(E)-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxypentanamide
CID 135773326
4-[[2-amino-3-[2-[cyclohexyl(cyclopentyl)amino]-2-oxoethyl]-4H-quinazolin-6-yl]oxy]-N-butyl-N-cyclohexylbutanamide
CID 54139960
methyl 2-[4-[(1-butyl-2-oxo-3,5-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]butanoyl-cyclohexylamino]acetate
CID 70434657
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

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate?
The IUPAC name of 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate (CID 135626539) is 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate.
What is the SMILES notation for 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate?
The canonical SMILES for 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate is CC(=O)OCCCN(C(=O)CCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate?
The InChIKey is OAMSDYBGMRPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-19(31)34-15-7-13-30(21-8-3-2-4-9-21)25(33)10-5-6-14-35-22-11-12-23-20(16-22)17-29-18-24(32)28-26(29)27-23/h11-12,16,21H,2-10,13-15,17-18H2,1H3,(H,27,28,32).
What are the key properties of 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate?
3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate has a molecular weight of 484.60 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate is sourced from PubChem (CID 135626539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).