2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione

C23H20N4O3 — CID 126463228

IUPAC2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione
SMILESCN1C(=O)c2cccc(N3CCN(C(=O)c4ccc5ncccc5c4)CC3)c2C1=O
InChIInChI=1S/C23H20N4O3/c1-25-22(29)17-5-2-6-19(20(17)23(25)30)26-10-12-27(13-11-26)21(28)16-7-8-18-15(14-16)4-3-9-24-18/h2-9,14H,10-13H2,1H3
InChIKeyUHYZPYZRRBSDKQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione

2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione (PubChem CID 126463228) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione
PubChem CID126463228
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione
SMILESCN1C(=O)c2cccc(N3CCN(C(=O)c4ccc5ncccc5c4)CC3)c2C1=O
InChIInChI=1S/C23H20N4O3/c1-25-22(29)17-5-2-6-19(20(17)23(25)30)26-10-12-27(13-11-26)21(28)16-7-8-18-15(14-16)4-3-9-24-18/h2-9,14H,10-13H2,1H3
InChIKeyUHYZPYZRRBSDKQ-UHFFFAOYSA-N
XLogP2.42
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione (CID 126463228) is 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione is CN1C(=O)c2cccc(N3CCN(C(=O)c4ccc5ncccc5c4)CC3)c2C1=O.
What is the InChIKey of 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione?
The InChIKey is UHYZPYZRRBSDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-25-22(29)17-5-2-6-19(20(17)23(25)30)26-10-12-27(13-11-26)21(28)16-7-8-18-15(14-16)4-3-9-24-18/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione?
2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 400.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 126463228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).