6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one

C26H23N3O — CID 2879517

IUPAC6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
SMILESCc1ccc(C2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C26H23N3O/c1-18-12-14-20(15-13-18)25-22-23(19-8-4-2-5-9-19)27-16-17-28-24(22)26(30)29(25)21-10-6-3-7-11-21/h2-15,25,28H,16-17H2,1H3
InChIKeyPSIIUYQKJREXOJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.43
Rot. Bonds3

About 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one

6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one (PubChem CID 2879517) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
PubChem CID2879517
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
SMILESCc1ccc(C2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C26H23N3O/c1-18-12-14-20(15-13-18)25-22-23(19-8-4-2-5-9-19)27-16-17-28-24(22)26(30)29(25)21-10-6-3-7-11-21/h2-15,25,28H,16-17H2,1H3
InChIKeyPSIIUYQKJREXOJ-UHFFFAOYSA-N
XLogP4.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one with MolForge

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Related Compounds

5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 3479884
(6S)-6-(4-hydroxyphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 30038135
(6S)-6-(4-bromophenyl)-5-(4-chlorophenyl)-7-phenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 92822990
6-(2-fluorophenyl)-5-(4-methylphenyl)-7-phenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 5298014
7-(4-chlorophenyl)-5-phenyl-6-(4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 4663150
5-(4-ethoxyphenyl)-6-(4-fluorophenyl)-7-phenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 3346794
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
4-(4-chlorophenyl)-5-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 4639162
(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 1108919
(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 94071830

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
The IUPAC name of 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one (CID 2879517) is 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one.
What is the SMILES notation for 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
The canonical SMILES for 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one is Cc1ccc(C2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
The InChIKey is PSIIUYQKJREXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-18-12-14-20(15-13-18)25-22-23(19-8-4-2-5-9-19)27-16-17-28-24(22)26(30)29(25)21-10-6-3-7-11-21/h2-15,25,28H,16-17H2,1H3.
What are the key properties of 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one has a molecular weight of 393.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one is sourced from PubChem (CID 2879517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).