2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione

C17H12N2O3 — CID 168517670

IUPAC2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
SMILESO=C1CCc2c(cccc2N2C(=O)c3ccccc3C2=O)N1
InChIInChI=1S/C17H12N2O3/c20-15-9-8-12-13(18-15)6-3-7-14(12)19-16(21)10-4-1-2-5-11(10)17(19)22/h1-7H,8-9H2,(H,18,20)
InChIKeyNFCOMJXAACMGEZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.37
Rot. Bonds1

About 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione

2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione (PubChem CID 168517670) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
PubChem CID168517670
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
SMILESO=C1CCc2c(cccc2N2C(=O)c3ccccc3C2=O)N1
InChIInChI=1S/C17H12N2O3/c20-15-9-8-12-13(18-15)6-3-7-14(12)19-16(21)10-4-1-2-5-11(10)17(19)22/h1-7H,8-9H2,(H,18,20)
InChIKeyNFCOMJXAACMGEZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 13236332
2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
CID 13202311
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84655921
5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 151170288
5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13243491
5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 117291601
5-[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 155559588
2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione
CID 70430450
5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117398756
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione (CID 168517670) is 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione is O=C1CCc2c(cccc2N2C(=O)c3ccccc3C2=O)N1.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione?
The InChIKey is NFCOMJXAACMGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-15-9-8-12-13(18-15)6-3-7-14(12)19-16(21)10-4-1-2-5-11(10)17(19)22/h1-7H,8-9H2,(H,18,20).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione?
2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione has a molecular weight of 292.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 168517670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).