4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

C27H30N4O2 — CID 108731260

IUPAC4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)CC2=O)cc1
InChIInChI=1S/C27H30N4O2/c1-18-7-9-22(10-8-18)31-17-21(16-25(31)32)27(33)30-13-11-29(12-14-30)24-15-20(3)23-6-4-5-19(2)26(23)28-24/h4-10,15,21H,11-14,16-17H2,1-3H3
InChIKeyHDGPIRYUJJVFQG-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.86
Rot. Bonds3

About 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 108731260) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID108731260
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)CC2=O)cc1
InChIInChI=1S/C27H30N4O2/c1-18-7-9-22(10-8-18)31-17-21(16-25(31)32)27(33)30-13-11-29(12-14-30)24-15-20(3)23-6-4-5-19(2)26(23)28-24/h4-10,15,21H,11-14,16-17H2,1-3H3
InChIKeyHDGPIRYUJJVFQG-UHFFFAOYSA-N
XLogP3.86
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 108741906
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122332538
1-(4-methylphenyl)-4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91631587
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122337980
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
(4R)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8933726
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
1-(3,4-dimethylphenyl)-4-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332252
4-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122333770
1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 121058652

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 108731260) is 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCN(c4cc(C)c5cccc(C)c5n4)CC3)CC2=O)cc1.
What is the InChIKey of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is HDGPIRYUJJVFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-18-7-9-22(10-8-18)31-17-21(16-25(31)32)27(33)30-13-11-29(12-14-30)24-15-20(3)23-6-4-5-19(2)26(23)28-24/h4-10,15,21H,11-14,16-17H2,1-3H3.
What are the key properties of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 442.56 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 108731260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).