6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one

C20H20N2O3 — CID 59543279

IUPAC6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
SMILESCOCc1cc2cc(N3Cc4ccc(OC)cc4C3=O)ccc2n1C
InChIInChI=1S/C20H20N2O3/c1-21-16(12-24-2)9-14-8-15(5-7-19(14)21)22-11-13-4-6-17(25-3)10-18(13)20(22)23/h4-10H,11-12H2,1-3H3
InChIKeyGKNFNRYSUIUNIA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.49
Rot. Bonds4

About 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one

6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one (PubChem CID 59543279) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
PubChem CID59543279
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
SMILESCOCc1cc2cc(N3Cc4ccc(OC)cc4C3=O)ccc2n1C
InChIInChI=1S/C20H20N2O3/c1-21-16(12-24-2)9-14-8-15(5-7-19(14)21)22-11-13-4-6-17(25-3)10-18(13)20(22)23/h4-10H,11-12H2,1-3H3
InChIKeyGKNFNRYSUIUNIA-UHFFFAOYSA-N
XLogP3.49
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one?
The IUPAC name of 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one (CID 59543279) is 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one.
What is the SMILES notation for 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one?
The canonical SMILES for 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one is COCc1cc2cc(N3Cc4ccc(OC)cc4C3=O)ccc2n1C.
What is the InChIKey of 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one?
The InChIKey is GKNFNRYSUIUNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-21-16(12-24-2)9-14-8-15(5-7-19(14)21)22-11-13-4-6-17(25-3)10-18(13)20(22)23/h4-10H,11-12H2,1-3H3.
What are the key properties of 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one?
6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one has a molecular weight of 336.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one is sourced from PubChem (CID 59543279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).