1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate

C27H38N4O5 — CID 135626469

IUPAC1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
SMILESCCC(OC(C)=O)N(C(=O)CCCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1
InChIInChI=1S/C27H38N4O5/c1-3-26(36-19(2)32)31(21-10-6-4-7-11-21)25(34)12-8-5-9-15-35-22-13-14-23-20(16-22)17-30-18-24(33)29-27(30)28-23/h13-14,16,21,26H,3-12,15,17-18H2,1-2H3,(H,28,29,33)
InChIKeyUMHIQNONUGCCAC-UHFFFAOYSA-N
MW498.62 g/mol
LogP4.02
Rot. Bonds11

About 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate

1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate (PubChem CID 135626469) has the molecular formula C27H38N4O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate.

Molecular Properties

Compound Name1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
PubChem CID135626469
Molecular FormulaC27H38N4O5
Molecular Weight498.62 g/mol
Exact Mass498.28
IUPAC Name1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
SMILESCCC(OC(C)=O)N(C(=O)CCCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1
InChIInChI=1S/C27H38N4O5/c1-3-26(36-19(2)32)31(21-10-6-4-7-11-21)25(34)12-8-5-9-15-35-22-13-14-23-20(16-22)17-30-18-24(33)29-27(30)28-23/h13-14,16,21,26H,3-12,15,17-18H2,1-2H3,(H,28,29,33)
InChIKeyUMHIQNONUGCCAC-UHFFFAOYSA-N
XLogP4.02
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate
CID 135626539
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-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
CID 135626550
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
N-(cyclopentylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626766
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-5-[(E)-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxypentanamide
CID 135773326
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
7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135518202
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 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate?
The IUPAC name of 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate (CID 135626469) is 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate.
What is the SMILES notation for 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate?
The canonical SMILES for 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate is CCC(OC(C)=O)N(C(=O)CCCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate?
The InChIKey is UMHIQNONUGCCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5/c1-3-26(36-19(2)32)31(21-10-6-4-7-11-21)25(34)12-8-5-9-15-35-22-13-14-23-20(16-22)17-30-18-24(33)29-27(30)28-23/h13-14,16,21,26H,3-12,15,17-18H2,1-2H3,(H,28,29,33).
What are the key properties of 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate?
1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate has a molecular weight of 498.62 g/mol, XLogP of 4.02, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate is sourced from PubChem (CID 135626469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).