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

C22H30N4O3 — CID 135626842

IUPACN-cycloheptyl-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)C1CCCCCC1
InChIInChI=1S/C22H30N4O3/c1-25(17-7-4-2-3-5-8-17)21(28)9-6-12-29-18-10-11-19-16(13-18)14-26-15-20(27)24-22(26)23-19/h10-11,13,17H,2-9,12,14-15H2,1H3,(H,23,24,27)
InChIKeyYKSFDUKDNBXUKV-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.96
Rot. Bonds6

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

N-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (PubChem CID 135626842) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
PubChem CID135626842
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cycloheptyl-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)C1CCCCCC1
InChIInChI=1S/C22H30N4O3/c1-25(17-7-4-2-3-5-8-17)21(28)9-6-12-29-18-10-11-19-16(13-18)14-26-15-20(27)24-22(26)23-19/h10-11,13,17H,2-9,12,14-15H2,1H3,(H,23,24,27)
InChIKeyYKSFDUKDNBXUKV-UHFFFAOYSA-N
XLogP2.96
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.96
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-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The IUPAC name of N-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (CID 135626842) is N-cycloheptyl-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-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The canonical SMILES for N-cycloheptyl-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)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The InChIKey is YKSFDUKDNBXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-25(17-7-4-2-3-5-8-17)21(28)9-6-12-29-18-10-11-19-16(13-18)14-26-15-20(27)24-22(26)23-19/h10-11,13,17H,2-9,12,14-15H2,1H3,(H,23,24,27).
What are the key properties of N-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
N-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide has a molecular weight of 398.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is sourced from PubChem (CID 135626842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).