2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C26H20N2O4 — CID 1226046

IUPAC2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESC[C@@H](c1ccccc1)n1c(=O)c2cc3c(=O)n([C@@H](C)c4ccccc4)c(=O)c3cc2c1=O
InChIInChI=1S/C26H20N2O4/c1-15(17-9-5-3-6-10-17)27-23(29)19-13-21-22(14-20(19)24(27)30)26(32)28(25(21)31)16(2)18-11-7-4-8-12-18/h3-16H,1-2H3/t15-,16-/m0/s1
InChIKeyQAQORBCMWZMXQY-HOTGVXAUSA-N
MW424.46 g/mol
LogP3.13
Rot. Bonds4

About 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 1226046) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID1226046
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESC[C@@H](c1ccccc1)n1c(=O)c2cc3c(=O)n([C@@H](C)c4ccccc4)c(=O)c3cc2c1=O
InChIInChI=1S/C26H20N2O4/c1-15(17-9-5-3-6-10-17)27-23(29)19-13-21-22(14-20(19)24(27)30)26(32)28(25(21)31)16(2)18-11-7-4-8-12-18/h3-16H,1-2H3/t15-,16-/m0/s1
InChIKeyQAQORBCMWZMXQY-HOTGVXAUSA-N
XLogP3.13
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
CID 12914074
9-(1-phenylethyl)carbazole
CID 154375313
6,7-dimethoxy-3-(1-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4889991
3-amino-7-nitro-1-oxo-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile
CID 6712478
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627
3-amino-4-cyano-N-hydroxy-1-oxo-2-(1-phenylethyl)isoquinolin-7-amine oxide
CID 21143795
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320
4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3-amino-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,3-g]quinazoline-5,7-dione;2,2,2-trifluoroacetic acid
CID 136984225
4-[1-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]benzoic acid
CID 66893674

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 1226046) is 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is C[C@@H](c1ccccc1)n1c(=O)c2cc3c(=O)n([C@@H](C)c4ccccc4)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is QAQORBCMWZMXQY-HOTGVXAUSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-15(17-9-5-3-6-10-17)27-23(29)19-13-21-22(14-20(19)24(27)30)26(32)28(25(21)31)16(2)18-11-7-4-8-12-18/h3-16H,1-2H3/t15-,16-/m0/s1.
What are the key properties of 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 424.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 1226046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).