N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide

C28H28N4O3 — CID 135626618

IUPACN-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-31(27(20-9-4-2-5-10-20)21-11-6-3-7-12-21)26(34)13-8-16-35-23-14-15-24-22(17-23)18-32-19-25(33)30-28(32)29-24/h2-7,9-12,14-15,17,27H,8,13,16,18-19H2,1H3,(H,29,30,33)
InChIKeyRZGMANVZEPZIJS-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.03
Rot. Bonds8

About N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide

N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (PubChem CID 135626618) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
PubChem CID135626618
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-31(27(20-9-4-2-5-10-20)21-11-6-3-7-12-21)26(34)13-8-16-35-23-14-15-24-22(17-23)18-32-19-25(33)30-28(32)29-24/h2-7,9-12,14-15,17,27H,8,13,16,18-19H2,1H3,(H,29,30,33)
InChIKeyRZGMANVZEPZIJS-UHFFFAOYSA-N
XLogP4.03
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The IUPAC name of N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (CID 135626618) is N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.
What is the SMILES notation for N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The canonical SMILES for N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The InChIKey is RZGMANVZEPZIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-31(27(20-9-4-2-5-10-20)21-11-6-3-7-12-21)26(34)13-8-16-35-23-14-15-24-22(17-23)18-32-19-25(33)30-28(32)29-24/h2-7,9-12,14-15,17,27H,8,13,16,18-19H2,1H3,(H,29,30,33).
What are the key properties of N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide has a molecular weight of 468.56 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is sourced from PubChem (CID 135626618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).