5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

C24H28N6O2 — CID 53300747

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N6O2/c1-17-5-4-6-18(2)22(17)30-23(25-26-27-30)24(3)12-11-21(31)29(24)20-9-7-19(8-10-20)28-13-15-32-16-14-28/h4-10H,11-16H2,1-3H3
InChIKeyQOALTQUFKZBWRZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.16
Rot. Bonds4

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 53300747) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
PubChem CID53300747
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N6O2/c1-17-5-4-6-18(2)22(17)30-23(25-26-27-30)24(3)12-11-21(31)29(24)20-9-7-19(8-10-20)28-13-15-32-16-14-28/h4-10H,11-16H2,1-3H3
InChIKeyQOALTQUFKZBWRZ-UHFFFAOYSA-N
XLogP3.16
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 53300746
1-Cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300791
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300742
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300744
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300758
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300782
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53300784
1-(Cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300787
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300789
4-{2-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]butan-2-yl}morpholine
CID 3093131
4-{1-[1-(2-Ethyl-6-methylphenyl)-1H-1,2,3,4-tetrazol-5-YL]cyclopentyl}morpholine
CID 5233974
5-(1-Butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300769

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (CID 53300747) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is Cc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is QOALTQUFKZBWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-5-4-6-18(2)22(17)30-23(25-26-27-30)24(3)12-11-21(31)29(24)20-9-7-19(8-10-20)28-13-15-32-16-14-28/h4-10H,11-16H2,1-3H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 432.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 53300747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).