N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide

C24H32N4O4 — CID 135626606

IUPACN-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide
SMILESCN(C(=O)CCCCCCOc1ccc2nc3n(c(=O)c2c1)CC(=O)N3)C1CCCCC1
InChIInChI=1S/C24H32N4O4/c1-27(17-9-5-4-6-10-17)22(30)11-7-2-3-8-14-32-18-12-13-20-19(15-18)23(31)28-16-21(29)26-24(28)25-20/h12-13,15,17H,2-11,14,16H2,1H3,(H,25,26,29)
InChIKeyOKUAPDFIFNOIJO-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.47
Rot. Bonds9

About N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide

N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide (PubChem CID 135626606) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide.

Molecular Properties

Compound NameN-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide
PubChem CID135626606
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide
SMILESCN(C(=O)CCCCCCOc1ccc2nc3n(c(=O)c2c1)CC(=O)N3)C1CCCCC1
InChIInChI=1S/C24H32N4O4/c1-27(17-9-5-4-6-10-17)22(30)11-7-2-3-8-14-32-18-12-13-20-19(15-18)23(31)28-16-21(29)26-24(28)25-20/h12-13,15,17H,2-11,14,16H2,1H3,(H,25,26,29)
InChIKeyOKUAPDFIFNOIJO-UHFFFAOYSA-N
XLogP3.47
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-methyl-4-[(2,2,5-trioxo-1,3-dihydro-[1,2,4]thiadiazolo[3,4-b]quinazolin-7-yl)oxy]butanamide
CID 135986072
4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N,N-dihexylbutanamide
CID 135626645
N-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
N-cyclohexyl-N-methyl-5-[(E)-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxypentanamide
CID 135773326
4-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-6-yl)oxy]-N-methyl-N-phenylbutanamide
CID 135626683
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
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
ethyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-1,4-dihydroquinazolin-3-ium-3-yl]acetate
CID 135887904
N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862027
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
4-[[2-amino-3-(2-anilino-2-oxoethyl)-1,4-dihydroquinazolin-3-ium-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide bromide
CID 135887917

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide?
The IUPAC name of N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide (CID 135626606) is N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide.
What is the SMILES notation for N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide?
The canonical SMILES for N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide is CN(C(=O)CCCCCCOc1ccc2nc3n(c(=O)c2c1)CC(=O)N3)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide?
The InChIKey is OKUAPDFIFNOIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-27(17-9-5-4-6-10-17)22(30)11-7-2-3-8-14-32-18-12-13-20-19(15-18)23(31)28-16-21(29)26-24(28)25-20/h12-13,15,17H,2-11,14,16H2,1H3,(H,25,26,29).
What are the key properties of N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide?
N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide has a molecular weight of 440.54 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-[(2,5-dioxo-1,3-dihydroimidazo[2,1-b]quinazolin-7-yl)oxy]-N-methylheptanamide is sourced from PubChem (CID 135626606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).