(2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione

C24H22N2O2 — CID 10406844

IUPAC(2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
SMILESO=C1[C@@H]2[C@@H]3CCCC[C@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23-20-16-11-5-4-10-15(16)19-17-12-6-7-13-18(17)25-22(19)21(20)24(28)26(23)14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,20-21,25H,4-5,10-11H2/t15-,16-,20-,21-/m1/s1
InChIKeyYQDIZAHKTNEAGG-IMAQQZIHSA-N
MW370.45 g/mol
LogP4.73
Rot. Bonds1

About (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione

(2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione (PubChem CID 10406844) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione.

Molecular Properties

Compound Name(2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
PubChem CID10406844
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
SMILESO=C1[C@@H]2[C@@H]3CCCC[C@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23-20-16-11-5-4-10-15(16)19-17-12-6-7-13-18(17)25-22(19)21(20)24(28)26(23)14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,20-21,25H,4-5,10-11H2/t15-,16-,20-,21-/m1/s1
InChIKeyYQDIZAHKTNEAGG-IMAQQZIHSA-N
XLogP4.73
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R,7R,12R)-4-ethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
CID 10064733
(3aR,4R,5S,10bR)-5-methyl-2-phenyl-4-propan-2-yl-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione
CID 10022168
(3aR,5R,10cR)-5-methyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 14381905
(3aS,5S,10cS)-5-methyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 102059616
(2S,6R,7R,9R,12R)-16-methoxy-4-(4-methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione
CID 53298544
(3aS,4R,10cS)-4-acetyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 102059258
methyl (3aS,4R,10cR)-1,3-dioxo-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-4-carboxylate
CID 15632888
(1S,2S,6R,7R)-4-phenyl-4-azatetracyclo[13.6.0.02,6.07,14]henicos-14-ene-3,5-dione
CID 22296712
(15R,19R)-17-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 51463995
17-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 5192921
(7S,11S)-4-methyl-9-(4-methylphenyl)-3,9-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4-diene-8,10-dione
CID 101469319
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293

Frequently Asked Questions

What is the IUPAC name of (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione?
The IUPAC name of (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione (CID 10406844) is (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione.
What is the SMILES notation for (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione?
The canonical SMILES for (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione is O=C1[C@@H]2[C@@H]3CCCC[C@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1.
What is the InChIKey of (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione?
The InChIKey is YQDIZAHKTNEAGG-IMAQQZIHSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23-20-16-11-5-4-10-15(16)19-17-12-6-7-13-18(17)25-22(19)21(20)24(28)26(23)14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,20-21,25H,4-5,10-11H2/t15-,16-,20-,21-/m1/s1.
What are the key properties of (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione?
(2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione has a molecular weight of 370.45 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7R,12R)-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione is sourced from PubChem (CID 10406844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).