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

C28H42N4O4 — CID 135626803

IUPACN-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
SMILESCCCC(C1CCCC1)N(CCO)C(=O)CCCCCCOc1cccc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C28H42N4O4/c1-2-10-24(21-11-6-7-12-21)32(16-17-33)27(35)15-5-3-4-8-18-36-25-14-9-13-23-22(25)19-31-20-26(34)30-28(31)29-23/h9,13-14,21,24,33H,2-8,10-12,15-20H2,1H3,(H,29,30,34)
InChIKeyQCRNWRQKPXNFJM-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.13
Rot. Bonds14

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

N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide (PubChem CID 135626803) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide.

Molecular Properties

Compound NameN-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
PubChem CID135626803
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC NameN-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
SMILESCCCC(C1CCCC1)N(CCO)C(=O)CCCCCCOc1cccc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C28H42N4O4/c1-2-10-24(21-11-6-7-12-21)32(16-17-33)27(35)15-5-3-4-8-18-36-25-14-9-13-23-22(25)19-31-20-26(34)30-28(31)29-23/h9,13-14,21,24,33H,2-8,10-12,15-20H2,1H3,(H,29,30,34)
InChIKeyQCRNWRQKPXNFJM-UHFFFAOYSA-N
XLogP4.13
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.13
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-benzyl-N-methyl-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide
CID 135626852
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]butanamide
CID 135626668
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-(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
N-hexyl-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]heptanamide
CID 135626770
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
CID 135626550
N-methyl-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]-N-phenylhexanamide
CID 135626702
1-[cyclohexyl-[6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]hexanoyl]amino]propyl acetate
CID 135626469
N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide
CID 135626317
[2-(dimethylamino)phenyl] 2-[2-amino-5-[5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentoxy]-4H-quinazolin-3-yl]acetate
CID 54370176
N-cyclohexyl-N-(2-hydroxyethyl)-2-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]acetamide
CID 135626534

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
The IUPAC name of N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide (CID 135626803) is N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide.
What is the SMILES notation for N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
The canonical SMILES for N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide is CCCC(C1CCCC1)N(CCO)C(=O)CCCCCCOc1cccc2c1CN1CC(=O)NC1=N2.
What is the InChIKey of N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
The InChIKey is QCRNWRQKPXNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c1-2-10-24(21-11-6-7-12-21)32(16-17-33)27(35)15-5-3-4-8-18-36-25-14-9-13-23-22(25)19-31-20-26(34)30-28(31)29-23/h9,13-14,21,24,33H,2-8,10-12,15-20H2,1H3,(H,29,30,34).
What are the key properties of N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide?
N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide has a molecular weight of 498.67 g/mol, XLogP of 4.13, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylbutyl)-N-(2-hydroxyethyl)-7-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-6-yl)oxy]heptanamide is sourced from PubChem (CID 135626803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).