quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate

C19H12N2O4 — CID 745038

IUPACquinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1cccc2cccnc12
InChIInChI=1S/C19H12N2O4/c22-16(25-15-9-3-5-12-6-4-10-20-17(12)15)11-21-18(23)13-7-1-2-8-14(13)19(21)24/h1-10H,11H2
InChIKeyJQXYETBMXDBVPQ-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.44
Rot. Bonds3

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

quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 745038) has the molecular formula C19H12N2O4 and a molecular weight of 332.31 g/mol. Its IUPAC name is quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Namequinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID745038
Molecular FormulaC19H12N2O4
Molecular Weight332.31 g/mol
Exact Mass332.08
IUPAC Namequinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1cccc2cccnc12
InChIInChI=1S/C19H12N2O4/c22-16(25-15-9-3-5-12-6-4-10-20-17(12)15)11-21-18(23)13-7-1-2-8-14(13)19(21)24/h1-10H,11H2
InChIKeyJQXYETBMXDBVPQ-UHFFFAOYSA-N
XLogP2.44
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzoxiquine
CID 6855
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
5-fluoro-PB-22
CID 72710774
FUB-PB-22 compound
CID 91936864
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
Npb-22
CID 118796435
5-Fluoro-NPB-22
CID 118796524
quinolin-8-yl (E)-3-phenylprop-2-enoate
CID 701842
quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
CID 778948
quinolin-8-yl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
CID 3762612
quinolin-8-yl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
CID 4693003

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate (CID 745038) is quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is JQXYETBMXDBVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-16(25-15-9-3-5-12-6-4-10-20-17(12)15)11-21-18(23)13-7-1-2-8-14(13)19(21)24/h1-10H,11H2.
What are the key properties of quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 332.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 745038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).