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

C22H30N4O3 — CID 135626489

IUPACN-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCC1c2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2N=C2NC(=O)CN21
InChIInChI=1S/C22H30N4O3/c1-15-18-13-17(10-11-19(18)23-22-24-20(27)14-26(15)22)29-12-6-9-21(28)25(2)16-7-4-3-5-8-16/h10-11,13,15-16H,3-9,12,14H2,1-2H3,(H,23,24,27)
InChIKeyUJUZJSOMBBIXMJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.13
Rot. Bonds6

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

N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (PubChem CID 135626489) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
PubChem CID135626489
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
SMILESCC1c2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2N=C2NC(=O)CN21
InChIInChI=1S/C22H30N4O3/c1-15-18-13-17(10-11-19(18)23-22-24-20(27)14-26(15)22)29-12-6-9-21(28)25(2)16-7-4-3-5-8-16/h10-11,13,15-16H,3-9,12,14H2,1-2H3,(H,23,24,27)
InChIKeyUJUZJSOMBBIXMJ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide (CID 135626489) is N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is CC1c2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2N=C2NC(=O)CN21.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
The InChIKey is UJUZJSOMBBIXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-18-13-17(10-11-19(18)23-22-24-20(27)14-26(15)22)29-12-6-9-21(28)25(2)16-7-4-3-5-8-16/h10-11,13,15-16H,3-9,12,14H2,1-2H3,(H,23,24,27).
What are the key properties of N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide?
N-cyclohexyl-N-methyl-4-[(5-methyl-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 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(5-methyl-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide is sourced from PubChem (CID 135626489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).