N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide

C26H38N4O4 — CID 135626503

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide
SMILESCc1cc(OCCCCCCC(=O)N(CCO)C2CCCCC2)cc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C26H38N4O4/c1-19-15-21(16-23-22(19)17-29-18-24(32)28-26(29)27-23)34-14-8-3-2-7-11-25(33)30(12-13-31)20-9-5-4-6-10-20/h15-16,20,31H,2-14,17-18H2,1H3,(H,27,28,32)
InChIKeyJFDFUGPWKCBPMR-UHFFFAOYSA-N
MW470.61 g/mol
LogP3.41
Rot. Bonds11

About N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide

N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide (PubChem CID 135626503) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide
PubChem CID135626503
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide
SMILESCc1cc(OCCCCCCC(=O)N(CCO)C2CCCCC2)cc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C26H38N4O4/c1-19-15-21(16-23-22(19)17-29-18-24(32)28-26(29)27-23)34-14-8-3-2-7-11-25(33)30(12-13-31)20-9-5-4-6-10-20/h15-16,20,31H,2-14,17-18H2,1H3,(H,27,28,32)
InChIKeyJFDFUGPWKCBPMR-UHFFFAOYSA-N
XLogP3.41
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.41
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

3-[cyclohexyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]propyl acetate
CID 135626539
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
CID 135626550
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
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
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-cyclohexyl-N-(2-hydroxyethyl)-2-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]acetamide
CID 135626534
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-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
CID 135973968
1-[1-cyclopentylpropyl-[5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanoyl]amino]ethyl acetate
CID 135626763

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide?
The IUPAC name of 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) is N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide is Cc1cc(OCCCCCCC(=O)N(CCO)C2CCCCC2)cc2c1CN1CC(=O)NC1=N2.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide?
The InChIKey is JFDFUGPWKCBPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-19-15-21(16-23-22(19)17-29-18-24(32)28-26(29)27-23)34-14-8-3-2-7-11-25(33)30(12-13-31)20-9-5-4-6-10-20/h15-16,20,31H,2-14,17-18H2,1H3,(H,27,28,32).
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide?
N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide has a molecular weight of 470.61 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-7-[(6-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-8-yl)oxy]heptanamide is sourced from PubChem (CID 135626503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).