2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide

C19H13N3O3 — CID 788570

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H13N3O3/c23-16(21-15-9-3-5-12-6-4-10-20-17(12)15)11-22-18(24)13-7-1-2-8-14(13)19(22)25/h1-10H,11H2,(H,21,23)
InChIKeyPIDWWCQRILDJPQ-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.47
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide (PubChem CID 788570) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide
PubChem CID788570
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H13N3O3/c23-16(21-15-9-3-5-12-6-4-10-20-17(12)15)11-22-18(24)13-7-1-2-8-14(13)19(22)25/h1-10H,11H2,(H,21,23)
InChIKeyPIDWWCQRILDJPQ-UHFFFAOYSA-N
XLogP2.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Indoramin
CID 33625
LY-517717
CID 9939865
Slv-310
CID 9888211
Iron oxide, spent
CID 5327711
2-[2-(1H-indol-3-yl)ethyl]-1H-Isoindole-1,3(2H)-dione
CID 288577
N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
CID 54752945
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-
CID 3041095
Rosettacin
CID 24813913
(s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CID 125181260

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide (CID 788570) is 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide?
The InChIKey is PIDWWCQRILDJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-16(21-15-9-3-5-12-6-4-10-20-17(12)15)11-22-18(24)13-7-1-2-8-14(13)19(22)25/h1-10H,11H2,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide has a molecular weight of 331.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 788570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).