1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C21H24N4O3 — CID 86880383

IUPAC1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc2ccccc2cc1C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C21H24N4O3/c1-15-17(14-16-4-2-3-5-18(16)22-15)21(28)24-11-8-23(9-12-24)10-13-25-19(26)6-7-20(25)27/h2-5,14H,6-13H2,1H3
InChIKeyYJMURQAJYJZFFG-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 86880383) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID86880383
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc2ccccc2cc1C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C21H24N4O3/c1-15-17(14-16-4-2-3-5-18(16)22-15)21(28)24-11-8-23(9-12-24)10-13-25-19(26)6-7-20(25)27/h2-5,14H,6-13H2,1H3
InChIKeyYJMURQAJYJZFFG-UHFFFAOYSA-N
XLogP1.45
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 155950739
2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78828494
1-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 47088369
1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 60505637
(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 86957741
(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 126773535
(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46536259
[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride
CID 126772613
ethyl 4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 46808248
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 51283875

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 86880383) is 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1nc2ccccc2cc1C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is YJMURQAJYJZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-17(14-16-4-2-3-5-18(16)22-15)21(28)24-11-8-23(9-12-24)10-13-25-19(26)6-7-20(25)27/h2-5,14H,6-13H2,1H3.
What are the key properties of 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 380.45 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 86880383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).