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

C20H20N2O2 — CID 42598216

IUPAC6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one
SMILESCCCn1ccc2cc(N3Cc4ccc(OC)cc4C3=O)ccc21
InChIInChI=1S/C20H20N2O2/c1-3-9-21-10-8-14-11-16(5-7-19(14)21)22-13-15-4-6-17(24-2)12-18(15)20(22)23/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyWRNBPRFOGYGSOB-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.22
Rot. Bonds4

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

6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one (PubChem CID 42598216) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one
PubChem CID42598216
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one
SMILESCCCn1ccc2cc(N3Cc4ccc(OC)cc4C3=O)ccc21
InChIInChI=1S/C20H20N2O2/c1-3-9-21-10-8-14-11-16(5-7-19(14)21)22-13-15-4-6-17(24-2)12-18(15)20(22)23/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyWRNBPRFOGYGSOB-UHFFFAOYSA-N
XLogP4.22
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[1-(methoxymethyl)indol-5-yl]-3H-isoindol-1-one
CID 42598443
2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one
CID 42600648
5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-dimethylbenzimidazol-2-one
CID 42597249
6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
CID 59543279
6-methoxy-2-(1-propan-2-ylindol-6-yl)-3H-isoindol-1-one
CID 42598672
6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one
CID 42597486
6-amino-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543176
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
2-(3-bromo-1-benzothiophen-5-yl)-6-methoxy-3H-isoindol-1-one
CID 59543233
6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one
CID 59543192
6-(5-methoxy-3-oxo-1H-isoindol-2-yl)-3H-quinolin-2-one
CID 91118547
6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
CID 59543269

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one (CID 42598216) is 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one is CCCn1ccc2cc(N3Cc4ccc(OC)cc4C3=O)ccc21.
What is the InChIKey of 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one?
The InChIKey is WRNBPRFOGYGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-9-21-10-8-14-11-16(5-7-19(14)21)22-13-15-4-6-17(24-2)12-18(15)20(22)23/h4-8,10-12H,3,9,13H2,1-2H3.
What are the key properties of 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one?
6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 42598216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).