6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one

C20H20N2O2 — CID 42598672

IUPAC6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3ccn(C(C)C)c3c1)C2
InChIInChI=1S/C20H20N2O2/c1-13(2)21-9-8-14-4-6-16(10-19(14)21)22-12-15-5-7-17(24-3)11-18(15)20(22)23/h4-11,13H,12H2,1-3H3
InChIKeyBQPQMNWENKTRJJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.39
Rot. Bonds3

About 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one

6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one (PubChem CID 42598672) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one
PubChem CID42598672
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3ccn(C(C)C)c3c1)C2
InChIInChI=1S/C20H20N2O2/c1-13(2)21-9-8-14-4-6-16(10-19(14)21)22-12-15-5-7-17(24-3)11-18(15)20(22)23/h4-11,13H,12H2,1-3H3
InChIKeyBQPQMNWENKTRJJ-UHFFFAOYSA-N
XLogP4.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one?
The IUPAC name of 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one (CID 42598672) is 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(c1ccc3ccn(C(C)C)c3c1)C2.
What is the InChIKey of 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one?
The InChIKey is BQPQMNWENKTRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13(2)21-9-8-14-4-6-16(10-19(14)21)22-12-15-5-7-17(24-3)11-18(15)20(22)23/h4-11,13H,12H2,1-3H3.
What are the key properties of 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one?
6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one is sourced from PubChem (CID 42598672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).