N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide

C24H34N4O4 — CID 135626550

IUPACN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
SMILESO=C1CN2Cc3cc(OCCCCC(=O)N(CCO)CC4CCCCC4)ccc3N=C2N1
InChIInChI=1S/C24H34N4O4/c29-12-11-27(15-18-6-2-1-3-7-18)23(31)8-4-5-13-32-20-9-10-21-19(14-20)16-28-17-22(30)26-24(28)25-21/h9-10,14,18,29H,1-8,11-13,15-17H2,(H,25,26,30)
InChIKeyLWICKUYQBGKHSA-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.57
Rot. Bonds10

About N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide

N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide (PubChem CID 135626550) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
PubChem CID135626550
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
SMILESO=C1CN2Cc3cc(OCCCCC(=O)N(CCO)CC4CCCCC4)ccc3N=C2N1
InChIInChI=1S/C24H34N4O4/c29-12-11-27(15-18-6-2-1-3-7-18)23(31)8-4-5-13-32-20-9-10-21-19(14-20)16-28-17-22(30)26-24(28)25-21/h9-10,14,18,29H,1-8,11-13,15-17H2,(H,25,26,30)
InChIKeyLWICKUYQBGKHSA-UHFFFAOYSA-N
XLogP2.57
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate
CID 135626539
1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
CID 135626469
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-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]pentanamide
CID 135626518
3-[hexyl-[4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanoyl]amino]propyl acetate
CID 135626501
N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
CID 135973968
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
N,N-dibenzyl-4-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl]oxy]butanamide
CID 135626259

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide?
The IUPAC name of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide (CID 135626550) is N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide is O=C1CN2Cc3cc(OCCCCC(=O)N(CCO)CC4CCCCC4)ccc3N=C2N1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide?
The InChIKey is LWICKUYQBGKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c29-12-11-27(15-18-6-2-1-3-7-18)23(31)8-4-5-13-32-20-9-10-21-19(14-20)16-28-17-22(30)26-24(28)25-21/h9-10,14,18,29H,1-8,11-13,15-17H2,(H,25,26,30).
What are the key properties of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide?
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide has a molecular weight of 442.56 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide is sourced from PubChem (CID 135626550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).