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

C22H30N4O3 — CID 135626551

IUPACN-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-2-26(17-7-4-3-5-8-17)21(28)9-6-12-29-18-10-11-19-16(13-18)14-25-15-20(27)24-22(25)23-19/h10-11,13,17H,2-9,12,14-15H2,1H3,(H,23,24,27)
InChIKeyLQTCEWMRBGMMNY-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.96
Rot. Bonds7

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

N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (PubChem CID 135626551) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
PubChem CID135626551
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-2-26(17-7-4-3-5-8-17)21(28)9-6-12-29-18-10-11-19-16(13-18)14-25-15-20(27)24-22(25)23-19/h10-11,13,17H,2-9,12,14-15H2,1H3,(H,23,24,27)
InChIKeyLQTCEWMRBGMMNY-UHFFFAOYSA-N
XLogP2.96
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (CID 135626551) is N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is CCN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The InChIKey is LQTCEWMRBGMMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-2-26(17-7-4-3-5-8-17)21(28)9-6-12-29-18-10-11-19-16(13-18)14-25-15-20(27)24-22(25)23-19/h10-11,13,17H,2-9,12,14-15H2,1H3,(H,23,24,27).
What are the key properties of N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
N-cyclohexyl-N-ethyl-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, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is sourced from PubChem (CID 135626551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).