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

C27H38N4O5 — CID 135626763

IUPAC1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate
SMILESCCC(C1CCCC1)N(C(=O)CCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C(C)OC(C)=O
InChIInChI=1S/C27H38N4O5/c1-4-24(20-9-5-6-10-20)31(18(2)36-19(3)32)26(34)11-7-8-14-35-22-12-13-23-21(15-22)16-30-17-25(33)29-27(30)28-23/h12-13,15,18,20,24H,4-11,14,16-17H2,1-3H3,(H,28,29,33)
InChIKeyYMCNEAGCWXKOLN-UHFFFAOYSA-N
MW498.62 g/mol
LogP3.88
Rot. Bonds11

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

1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate (PubChem CID 135626763) has the molecular formula C27H38N4O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate.

Molecular Properties

Compound Name1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate
PubChem CID135626763
Molecular FormulaC27H38N4O5
Molecular Weight498.62 g/mol
Exact Mass498.28
IUPAC Name1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate
SMILESCCC(C1CCCC1)N(C(=O)CCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C(C)OC(C)=O
InChIInChI=1S/C27H38N4O5/c1-4-24(20-9-5-6-10-20)31(18(2)36-19(3)32)26(34)11-7-8-14-35-22-12-13-23-21(15-22)16-30-17-25(33)29-27(30)28-23/h12-13,15,18,20,24H,4-11,14,16-17H2,1-3H3,(H,28,29,33)
InChIKeyYMCNEAGCWXKOLN-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
CID 135626469
3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate
CID 135626539
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
7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135518202
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-cyclohexyl-N-methyl-5-[(E)-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxypentanamide
CID 135773326
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-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide
CID 135626503

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate?
The IUPAC name of 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate (CID 135626763) is 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate.
What is the SMILES notation for 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate?
The canonical SMILES for 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate is CCC(C1CCCC1)N(C(=O)CCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C(C)OC(C)=O.
What is the InChIKey of 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate?
The InChIKey is YMCNEAGCWXKOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5/c1-4-24(20-9-5-6-10-20)31(18(2)36-19(3)32)26(34)11-7-8-14-35-22-12-13-23-21(15-22)16-30-17-25(33)29-27(30)28-23/h12-13,15,18,20,24H,4-11,14,16-17H2,1-3H3,(H,28,29,33).
What are the key properties of 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate?
1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate has a molecular weight of 498.62 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate is sourced from PubChem (CID 135626763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).