6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one

C21H23N3O — CID 59543269

IUPAC6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
SMILESCC(C)n1ccc2cc(N3Cc4ccc(N(C)C)cc4C3=O)ccc21
InChIInChI=1S/C21H23N3O/c1-14(2)23-10-9-15-11-18(7-8-20(15)23)24-13-16-5-6-17(22(3)4)12-19(16)21(24)25/h5-12,14H,13H2,1-4H3
InChIKeyGTTLSOCQWPOICV-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.45
Rot. Bonds3

About 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one

6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one (PubChem CID 59543269) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
PubChem CID59543269
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
SMILESCC(C)n1ccc2cc(N3Cc4ccc(N(C)C)cc4C3=O)ccc21
InChIInChI=1S/C21H23N3O/c1-14(2)23-10-9-15-11-18(7-8-20(15)23)24-13-16-5-6-17(22(3)4)12-19(16)21(24)25/h5-12,14H,13H2,1-4H3
InChIKeyGTTLSOCQWPOICV-UHFFFAOYSA-N
XLogP4.45
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one (CID 59543269) is 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one is CC(C)n1ccc2cc(N3Cc4ccc(N(C)C)cc4C3=O)ccc21.
What is the InChIKey of 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
The InChIKey is GTTLSOCQWPOICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)23-10-9-15-11-18(7-8-20(15)23)24-13-16-5-6-17(22(3)4)12-19(16)21(24)25/h5-12,14H,13H2,1-4H3.
What are the key properties of 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one has a molecular weight of 333.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 59543269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).