6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene

C20H24N2O — CID 68819235

IUPAC6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene
SMILESCOc1ccc2c3c([nH]c2c1)C1CC=C2CCCCC2N1CC3
InChIInChI=1S/C20H24N2O/c1-23-14-7-8-15-16-10-11-22-18-5-3-2-4-13(18)6-9-19(22)20(16)21-17(15)12-14/h6-8,12,18-19,21H,2-5,9-11H2,1H3
InChIKeyNWMQKBOFWACFQP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.35
Rot. Bonds1

About 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene

6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene (PubChem CID 68819235) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene.

Molecular Properties

Compound Name6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene
PubChem CID68819235
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene
SMILESCOc1ccc2c3c([nH]c2c1)C1CC=C2CCCCC2N1CC3
InChIInChI=1S/C20H24N2O/c1-23-14-7-8-15-16-10-11-22-18-5-3-2-4-13(18)6-9-19(22)20(16)21-17(15)12-14/h6-8,12,18-19,21H,2-5,9-11H2,1H3
InChIKeyNWMQKBOFWACFQP-UHFFFAOYSA-N
XLogP4.35
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene 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

(7-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84626254
(2S,3R,9R)-9-(2,4-dimethoxyphenyl)-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
CID 92569429
(1S)-18-methoxy-1,3,11,12,14,21-hexahydroyohimban
CID 11012165
2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol
CID 14414973
methyl (1S,15S,18S,19S,20R)-18-hydroxy-6-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 163019272
13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione
CID 18794211
6-methoxy-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-14-ol
CID 177142016
7-methoxy-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462438
(2S,3S,8S)-16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14(19),15,17-tetraene
CID 6352277
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
CID 87746150
(12S)-12-ethyl-19-methoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16(21),17,19-heptaene
CID 141353723

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene?
The IUPAC name of 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene (CID 68819235) is 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene.
What is the SMILES notation for 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene?
The canonical SMILES for 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene is COc1ccc2c3c([nH]c2c1)C1CC=C2CCCCC2N1CC3.
What is the InChIKey of 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene?
The InChIKey is NWMQKBOFWACFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-14-7-8-15-16-10-11-22-18-5-3-2-4-13(18)6-9-19(22)20(16)21-17(15)12-14/h6-8,12,18-19,21H,2-5,9-11H2,1H3.
What are the key properties of 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene?
6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene has a molecular weight of 308.43 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4(9),5,7,19-pentaene is sourced from PubChem (CID 68819235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).