2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one

C19H18N2O2 — CID 42600648

IUPAC2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3c(c1)cc(C)n3C)C2
InChIInChI=1S/C19H18N2O2/c1-12-8-14-9-15(5-7-18(14)20(12)2)21-11-13-4-6-16(23-3)10-17(13)19(21)22/h4-10H,11H2,1-3H3
InChIKeyHSTSQRFMVXPMKV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.66
Rot. Bonds2

About 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one

2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one (PubChem CID 42600648) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one
PubChem CID42600648
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3c(c1)cc(C)n3C)C2
InChIInChI=1S/C19H18N2O2/c1-12-8-14-9-15(5-7-18(14)20(12)2)21-11-13-4-6-16(23-3)10-17(13)19(21)22/h4-10H,11H2,1-3H3
InChIKeyHSTSQRFMVXPMKV-UHFFFAOYSA-N
XLogP3.66
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one (CID 42600648) is 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(c1ccc3c(c1)cc(C)n3C)C2.
What is the InChIKey of 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one?
The InChIKey is HSTSQRFMVXPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-8-14-9-15(5-7-18(14)20(12)2)21-11-13-4-6-16(23-3)10-17(13)19(21)22/h4-10H,11H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one?
2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 42600648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).