2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one

C30H30N4O2 — CID 166071547

IUPAC2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCN1Cc2cc3c(cc2C1)CN(CCN1Cc2ccccc2C1=O)C3
InChIInChI=1S/C30H30N4O2/c35-29-27-7-3-1-5-21(27)19-33(29)11-9-31-15-23-13-25-17-32(18-26(25)14-24(23)16-31)10-12-34-20-22-6-2-4-8-28(22)30(34)36/h1-8,13-14H,9-12,15-20H2
InChIKeyZRHBVEYCHJSVHS-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.63
Rot. Bonds6

About 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one

2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one (PubChem CID 166071547) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one
PubChem CID166071547
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCN1Cc2cc3c(cc2C1)CN(CCN1Cc2ccccc2C1=O)C3
InChIInChI=1S/C30H30N4O2/c35-29-27-7-3-1-5-21(27)19-33(29)11-9-31-15-23-13-25-17-32(18-26(25)14-24(23)16-31)10-12-34-20-22-6-2-4-8-28(22)30(34)36/h1-8,13-14H,9-12,15-20H2
InChIKeyZRHBVEYCHJSVHS-UHFFFAOYSA-N
XLogP3.63
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one with MolForge

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Related Compounds

2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
CID 75485475
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
2-nonyl-3H-isoindol-1-one
CID 132543397
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
(2S)-2-hydroxy-4-(3-oxo-1H-isoindol-2-yl)butanoic acid
CID 57072169
2-[2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-3H-isoindol-1-one
CID 10293758
2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-isoindol-1-one;dihydrochloride
CID 42626219
2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
CID 117030133
2-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 21077961
5-(3-oxo-1H-isoindol-2-yl)pentane-1-sulfonyl chloride
CID 135198294

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one (CID 166071547) is 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1CCN1Cc2cc3c(cc2C1)CN(CCN1Cc2ccccc2C1=O)C3.
What is the InChIKey of 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one?
The InChIKey is ZRHBVEYCHJSVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c35-29-27-7-3-1-5-21(27)19-33(29)11-9-31-15-23-13-25-17-32(18-26(25)14-24(23)16-31)10-12-34-20-22-6-2-4-8-28(22)30(34)36/h1-8,13-14H,9-12,15-20H2.
What are the key properties of 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one?
2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one has a molecular weight of 478.60 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-oxo-1H-isoindol-2-yl)ethyl]-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 166071547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).