6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one

C18H14N2O3 — CID 91118547

IUPAC6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3c(c1)=CCC(=O)N=3)C2
InChIInChI=1S/C18H14N2O3/c1-23-14-5-2-12-10-20(18(22)15(12)9-14)13-4-6-16-11(8-13)3-7-17(21)19-16/h2-6,8-9H,7,10H2,1H3
InChIKeyGIAOTMBTUIJTRS-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.19
Rot. Bonds2

About 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one

6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one (PubChem CID 91118547) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one.

Molecular Properties

Compound Name6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one
PubChem CID91118547
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3c(c1)=CCC(=O)N=3)C2
InChIInChI=1S/C18H14N2O3/c1-23-14-5-2-12-10-20(18(22)15(12)9-14)13-4-6-16-11(8-13)3-7-17(21)19-16/h2-6,8-9H,7,10H2,1H3
InChIKeyGIAOTMBTUIJTRS-UHFFFAOYSA-N
XLogP1.19
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one?
The IUPAC name of 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one (CID 91118547) is 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one.
What is the SMILES notation for 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one?
The canonical SMILES for 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one is COc1ccc2c(c1)C(=O)N(c1ccc3c(c1)=CCC(=O)N=3)C2.
What is the InChIKey of 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one?
The InChIKey is GIAOTMBTUIJTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-14-5-2-12-10-20(18(22)15(12)9-14)13-4-6-16-11(8-13)3-7-17(21)19-16/h2-6,8-9H,7,10H2,1H3.
What are the key properties of 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one?
6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one has a molecular weight of 306.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one is sourced from PubChem (CID 91118547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).