15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione

C25H16N4O2 — CID 59248366

IUPAC15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione
SMILESCc1ccc(NN=c2c(=O)cc3c(=O)n4c5ccccc5nc4c4cccc2c34)cc1
InChIInChI=1S/C25H16N4O2/c1-14-9-11-15(12-10-14)27-28-23-16-5-4-6-17-22(16)18(13-21(23)30)25(31)29-20-8-3-2-7-19(20)26-24(17)29/h2-13,27H,1H3
InChIKeyYJPYPDFDKIUMNY-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.63
Rot. Bonds2

About 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione

15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione (PubChem CID 59248366) has the molecular formula C25H16N4O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione.

Molecular Properties

Compound Name15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione
PubChem CID59248366
Molecular FormulaC25H16N4O2
Molecular Weight404.43 g/mol
Exact Mass404.13
IUPAC Name15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione
SMILESCc1ccc(NN=c2c(=O)cc3c(=O)n4c5ccccc5nc4c4cccc2c34)cc1
InChIInChI=1S/C25H16N4O2/c1-14-9-11-15(12-10-14)27-28-23-16-5-4-6-17-22(16)18(13-21(23)30)25(31)29-20-8-3-2-7-19(20)26-24(17)29/h2-13,27H,1H3
InChIKeyYJPYPDFDKIUMNY-UHFFFAOYSA-N
XLogP3.63
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione with MolForge

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Related Compounds

15-(methylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 4999170
18,21,36,40-tetrakis(4-methylphenoxy)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2(40),3,5(39),6,8,10,12,16,18,20,22,24,26,28,30,34,37-octadecaene-15,33-dione
CID 59194252
ethane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 90702606
17-hydroxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 141341157
15-amino-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 3512510
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbaldehyde
CID 88895903
19-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 21125027
6-methyl-17-(methylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one
CID 71052683
2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4,6,8(24),9,11,13,15,17,19(23),20-undecaen-3-one;ethane
CID 157262786
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxylic acid
CID 3467590
methane;propane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione
CID 157101386
17-amino-18-hydroxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 818905

Frequently Asked Questions

What is the IUPAC name of 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione?
The IUPAC name of 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione (CID 59248366) is 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione.
What is the SMILES notation for 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione?
The canonical SMILES for 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione is Cc1ccc(NN=c2c(=O)cc3c(=O)n4c5ccccc5nc4c4cccc2c34)cc1.
What is the InChIKey of 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione?
The InChIKey is YJPYPDFDKIUMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O2/c1-14-9-11-15(12-10-14)27-28-23-16-5-4-6-17-22(16)18(13-21(23)30)25(31)29-20-8-3-2-7-19(20)26-24(17)29/h2-13,27H,1H3.
What are the key properties of 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione?
15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione has a molecular weight of 404.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(4-methylphenyl)hydrazinylidene]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,16(20),17-octaene-11,14-dione is sourced from PubChem (CID 59248366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).