17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

C19H11FN2 — CID 162677154

IUPAC17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESFc1ccc2c(c1)ncc1cc3c(cc12)[nH]c1ccccc13
InChIInChI=1S/C19H11FN2/c20-12-5-6-14-15-9-19-16(7-11(15)10-21-18(14)8-12)13-3-1-2-4-17(13)22-19/h1-10,22H
InChIKeyOFDDWJPCIWDXSS-UHFFFAOYSA-N
MW286.31 g/mol
LogP5.16
Rot. Bonds

About 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (PubChem CID 162677154) has the molecular formula C19H11FN2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.

Molecular Properties

Compound Name17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
PubChem CID162677154
Molecular FormulaC19H11FN2
Molecular Weight286.31 g/mol
Exact Mass286.09
IUPAC Name17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESFc1ccc2c(c1)ncc1cc3c(cc12)[nH]c1ccccc13
InChIInChI=1S/C19H11FN2/c20-12-5-6-14-15-9-19-16(7-11(15)10-21-18(14)8-12)13-3-1-2-4-17(13)22-19/h1-10,22H
InChIKeyOFDDWJPCIWDXSS-UHFFFAOYSA-N
XLogP5.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.31
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene 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

Pergolide
CID 47811
7H-Dibenzo(c,g)carbazole
CID 9134
Ellipticine
CID 3213
(-)-Agroclavine
CID 73484
Festuclavine
CID 332915
6,8-Dimethyl-8,9-didehydroergoline
CID 287403
Flortaucipir F-18
CID 70957463
6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
CY 208-243
CID 58144
Ellipticine hydrochloride
CID 169532
Benzo[a]carbazole
CID 9196
3-(2-(4-Pyridyl)ethyl)indole
CID 27934

Frequently Asked Questions

What is the IUPAC name of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The IUPAC name of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (CID 162677154) is 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.
What is the SMILES notation for 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The canonical SMILES for 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is Fc1ccc2c(c1)ncc1cc3c(cc12)[nH]c1ccccc13.
What is the InChIKey of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The InChIKey is OFDDWJPCIWDXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2/c20-12-5-6-14-15-9-19-16(7-11(15)10-21-18(14)8-12)13-3-1-2-4-17(13)22-19/h1-10,22H.
What are the key properties of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene has a molecular weight of 286.31 g/mol, XLogP of 5.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is sourced from PubChem (CID 162677154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).