N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide

C20H15N3O3 — CID 155705031

IUPACN-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide
SMILESCC(=O)Nc1ccc2ccc(CN3C(=O)c4ccccc4C3=O)cc2n1
InChIInChI=1S/C20H15N3O3/c1-12(24)21-18-9-8-14-7-6-13(10-17(14)22-18)11-23-19(25)15-4-2-3-5-16(15)20(23)26/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyNKACOTLKBYAIFM-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.99
Rot. Bonds3

About N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide

N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide (PubChem CID 155705031) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide
PubChem CID155705031
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide
SMILESCC(=O)Nc1ccc2ccc(CN3C(=O)c4ccccc4C3=O)cc2n1
InChIInChI=1S/C20H15N3O3/c1-12(24)21-18-9-8-14-7-6-13(10-17(14)22-18)11-23-19(25)15-4-2-3-5-16(15)20(23)26/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyNKACOTLKBYAIFM-UHFFFAOYSA-N
XLogP2.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide?
The IUPAC name of N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide (CID 155705031) is N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide.
What is the SMILES notation for N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide?
The canonical SMILES for N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide is CC(=O)Nc1ccc2ccc(CN3C(=O)c4ccccc4C3=O)cc2n1.
What is the InChIKey of N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide?
The InChIKey is NKACOTLKBYAIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12(24)21-18-9-8-14-7-6-13(10-17(14)22-18)11-23-19(25)15-4-2-3-5-16(15)20(23)26/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide?
N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide has a molecular weight of 345.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]acetamide is sourced from PubChem (CID 155705031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).