18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene

C21H16N2O2 — CID 14934408

IUPAC18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene
SMILESCOc1cc2ccn3ccc4c5ccccc5nc-4c3c2cc1OC
InChIInChI=1S/C21H16N2O2/c1-24-18-11-13-7-9-23-10-8-15-14-5-3-4-6-17(14)22-20(15)21(23)16(13)12-19(18)25-2/h3-12H,1-2H3
InChIKeyPYVFAFGCBOOMIV-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.76
Rot. Bonds2

About 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene

18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene (PubChem CID 14934408) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene.

Molecular Properties

Compound Name18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene
PubChem CID14934408
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene
SMILESCOc1cc2ccn3ccc4c5ccccc5nc-4c3c2cc1OC
InChIInChI=1S/C21H16N2O2/c1-24-18-11-13-7-9-23-10-8-15-14-5-3-4-6-17(14)22-20(15)21(23)16(13)12-19(18)25-2/h3-12H,1-2H3
InChIKeyPYVFAFGCBOOMIV-UHFFFAOYSA-N
XLogP4.76
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene with MolForge

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Related Compounds

16,17-dimethoxy-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,3,5,7,9,11,14,16,18-nonaen-20-one
CID 56957308
8,9-dimethoxy-6-methylphenanthridine
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8,9-dimethoxyimidazo[2,1-a]isoquinoline
CID 132567007
2-(6,7-dimethoxyisoquinolin-1-yl)benzoic acid
CID 71518068
1-[2-[[2-(6,7-dimethoxyisoquinolin-1-yl)phenyl]disulfanyl]phenyl]-6,7-dimethoxyisoquinoline
CID 54476721
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
CID 3029064
1-(2-methylindolo[2,3-a]quinolizin-3-yl)ethanone;hydrochloride
CID 171375281
4-methoxy-5-methylindolo[3,2-b]quinoline;hydrochloride
CID 67599584
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263

Frequently Asked Questions

What is the IUPAC name of 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene?
The IUPAC name of 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene (CID 14934408) is 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene.
What is the SMILES notation for 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene?
The canonical SMILES for 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene is COc1cc2ccn3ccc4c5ccccc5nc-4c3c2cc1OC.
What is the InChIKey of 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene?
The InChIKey is PYVFAFGCBOOMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-24-18-11-13-7-9-23-10-8-15-14-5-3-4-6-17(14)22-20(15)21(23)16(13)12-19(18)25-2/h3-12H,1-2H3.
What are the key properties of 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene?
18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene has a molecular weight of 328.37 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene is sourced from PubChem (CID 14934408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).