4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

C27H30N4O3 — CID 108741906

IUPAC4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)C4CC(=O)N(c5ccc(C)cc5)C4)CC3)nc12
InChIInChI=1S/C27H30N4O3/c1-18-7-9-21(10-8-18)31-17-20(16-25(31)32)27(33)30-13-11-29(12-14-30)24-15-19(2)22-5-4-6-23(34-3)26(22)28-24/h4-10,15,20H,11-14,16-17H2,1-3H3
InChIKeyJPWURFJWWUTQQW-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.56
Rot. Bonds4

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

4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 108741906) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID108741906
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)C4CC(=O)N(c5ccc(C)cc5)C4)CC3)nc12
InChIInChI=1S/C27H30N4O3/c1-18-7-9-21(10-8-18)31-17-20(16-25(31)32)27(33)30-13-11-29(12-14-30)24-15-19(2)22-5-4-6-23(34-3)26(22)28-24/h4-10,15,20H,11-14,16-17H2,1-3H3
InChIKeyJPWURFJWWUTQQW-UHFFFAOYSA-N
XLogP3.56
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 108731260
4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 108764424
4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122332538
1-(3,4-dimethylphenyl)-4-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332252
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
1-(4-methylphenyl)-4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91631587
1-(4-methoxyphenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122343462
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
1-(3,4-dimethylphenyl)-4-[4-(6-methoxypyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 16883409
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122337980
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-2-one
CID 113192540

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 108741906) is 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is COc1cccc2c(C)cc(N3CCN(C(=O)C4CC(=O)N(c5ccc(C)cc5)C4)CC3)nc12.
What is the InChIKey of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is JPWURFJWWUTQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-18-7-9-21(10-8-18)31-17-20(16-25(31)32)27(33)30-13-11-29(12-14-30)24-15-19(2)22-5-4-6-23(34-3)26(22)28-24/h4-10,15,20H,11-14,16-17H2,1-3H3.
What are the key properties of 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 108741906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).