N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide

C23H20BrN3O3 — CID 3940679

IUPACN-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C23H20BrN3O3/c24-18-11-12-19(21-17(18)9-6-13-25-21)26-20(28)10-2-1-5-14-27-22(29)15-7-3-4-8-16(15)23(27)30/h3-4,6-9,11-13H,1-2,5,10,14H2,(H,26,28)
InChIKeyAAUCSGPBSFKGDR-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.79
Rot. Bonds7

About N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide

N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 3940679) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID3940679
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC NameN-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C23H20BrN3O3/c24-18-11-12-19(21-17(18)9-6-13-25-21)26-20(28)10-2-1-5-14-27-22(29)15-7-3-4-8-16(15)23(27)30/h3-4,6-9,11-13H,1-2,5,10,14H2,(H,26,28)
InChIKeyAAUCSGPBSFKGDR-UHFFFAOYSA-N
XLogP4.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide (CID 3940679) is N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)c2cccnc12.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is AAUCSGPBSFKGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c24-18-11-12-19(21-17(18)9-6-13-25-21)26-20(28)10-2-1-5-14-27-22(29)15-7-3-4-8-16(15)23(27)30/h3-4,6-9,11-13H,1-2,5,10,14H2,(H,26,28).
What are the key properties of N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 466.34 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 3940679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).