2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione

C24H25N3O3 — CID 45028330

IUPAC2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione
SMILESCCC(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(OC)cc2cccnc12
InChIInChI=1S/C24H25N3O3/c1-3-17(26-21-15-18(30-2)14-16-8-6-12-25-22(16)21)9-7-13-27-23(28)19-10-4-5-11-20(19)24(27)29/h4-6,8,10-12,14-15,17,26H,3,7,9,13H2,1-2H3
InChIKeyGQGKXNNGVJUVEO-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.51
Rot. Bonds8

About 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione

2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione (PubChem CID 45028330) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione
PubChem CID45028330
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione
SMILESCCC(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(OC)cc2cccnc12
InChIInChI=1S/C24H25N3O3/c1-3-17(26-21-15-18(30-2)14-16-8-6-12-25-22(16)21)9-7-13-27-23(28)19-10-4-5-11-20(19)24(27)29/h4-6,8,10-12,14-15,17,26H,3,7,9,13H2,1-2H3
InChIKeyGQGKXNNGVJUVEO-UHFFFAOYSA-N
XLogP4.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
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-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione (CID 45028330) is 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione is CCC(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(OC)cc2cccnc12.
What is the InChIKey of 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione?
The InChIKey is GQGKXNNGVJUVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-17(26-21-15-18(30-2)14-16-8-6-12-25-22(16)21)9-7-13-27-23(28)19-10-4-5-11-20(19)24(27)29/h4-6,8,10-12,14-15,17,26H,3,7,9,13H2,1-2H3.
What are the key properties of 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione?
2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione has a molecular weight of 403.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione is sourced from PubChem (CID 45028330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).