15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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

C36H20N4O2 — CID 89286239

IUPAC15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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
SMILESC=Cc1nc2c3cccc4c(-c5ccc6c(=O)n7c8ccccc8nc7c7cccc5c67)ccc(c(=O)n2c1C=C)c43
InChIInChI=1S/C36H20N4O2/c1-3-27-29(4-2)39-33(37-27)23-11-7-9-21-19(15-17-25(31(21)23)35(39)41)20-16-18-26-32-22(20)10-8-12-24(32)34-38-28-13-5-6-14-30(28)40(34)36(26)42/h3-18H,1-2H2
InChIKeyOVANMGRUDKCDEX-UHFFFAOYSA-N
MW540.58 g/mol
LogP7.30
Rot. Bonds3

About 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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

15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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 (PubChem CID 89286239) has the molecular formula C36H20N4O2 and a molecular weight of 540.58 g/mol. Its IUPAC name is 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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.

Molecular Properties

Compound Name15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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
PubChem CID89286239
Molecular FormulaC36H20N4O2
Molecular Weight540.58 g/mol
Exact Mass540.16
IUPAC Name15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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
SMILESC=Cc1nc2c3cccc4c(-c5ccc6c(=O)n7c8ccccc8nc7c7cccc5c67)ccc(c(=O)n2c1C=C)c43
InChIInChI=1S/C36H20N4O2/c1-3-27-29(4-2)39-33(37-27)23-11-7-9-21-19(15-17-25(31(21)23)35(39)41)20-16-18-26-32-22(20)10-8-12-24(32)34-38-28-13-5-6-14-30(28)40(34)36(26)42/h3-18H,1-2H2
InChIKeyOVANMGRUDKCDEX-UHFFFAOYSA-N
XLogP7.30
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.58
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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 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

8-ethenyl-9-[(Z)-prop-1-enyl]-7,10,21,28-tetrazadecacyclo[17.13.2.22,5.03,15.04,12.06,10.016,33.020,28.022,27.030,34]hexatriaconta-1(32),2,4,6,8,12,14,16(33),17,19(34),20,22,24,26,30,35-hexadecaene-11,29-dione
CID 143070962
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
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
17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-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 101191283
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
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
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
15,17-di(carbazol-9-yl)-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 121248140
8-(17-carboxy-11-oxo-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-15-yl)naphthalene-1,4,5-tricarboxylic acid
CID 3103599
15-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]-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 27153965

Frequently Asked Questions

What is the IUPAC name of 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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?
The IUPAC name of 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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 89286239) is 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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.
What is the SMILES notation for 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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?
The canonical SMILES for 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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 is C=Cc1nc2c3cccc4c(-c5ccc6c(=O)n7c8ccccc8nc7c7cccc5c67)ccc(c(=O)n2c1C=C)c43.
What is the InChIKey of 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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?
The InChIKey is OVANMGRUDKCDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4O2/c1-3-27-29(4-2)39-33(37-27)23-11-7-9-21-19(15-17-25(31(21)23)35(39)41)20-16-18-26-32-22(20)10-8-12-24(32)34-38-28-13-5-6-14-30(28)40(34)36(26)42/h3-18H,1-2H2.
What are the key properties of 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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?
15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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 has a molecular weight of 540.58 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-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 is sourced from PubChem (CID 89286239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).