16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene

C19H11FN2 — CID 160703384

IUPAC16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene
SMILESFc1ccc2c(c1)-c1ccnc3c1c(nc1ccccc13)C2
InChIInChI=1S/C19H11FN2/c20-12-6-5-11-9-17-18-13(15(11)10-12)7-8-21-19(18)14-3-1-2-4-16(14)22-17/h1-8,10H,9H2
InChIKeyLGIKUJUTQYXDSR-UHFFFAOYSA-N
MW286.31 g/mol
LogP4.49
Rot. Bonds

About 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene

16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene (PubChem CID 160703384) has the molecular formula C19H11FN2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene.

Molecular Properties

Compound Name16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene
PubChem CID160703384
Molecular FormulaC19H11FN2
Molecular Weight286.31 g/mol
Exact Mass286.09
IUPAC Name16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene
SMILESFc1ccc2c(c1)-c1ccnc3c1c(nc1ccccc13)C2
InChIInChI=1S/C19H11FN2/c20-12-6-5-11-9-17-18-13(15(11)10-12)7-8-21-19(18)14-3-1-2-4-16(14)22-17/h1-8,10H,9H2
InChIKeyLGIKUJUTQYXDSR-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene with MolForge

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Related Compounds

2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
CID 158524295
2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaene
CID 158524296
4-(3-fluorophenyl)quinoline
CID 141309372
2-fluoro-11H-indeno[1,2-b]quinoline-10-carboxylic acid
CID 116531149
4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
CID 142336489
11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
CID 166806392
4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline
CID 68961822
1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine
CID 59375375
4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 10975535
9-benzyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 134913901
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
6,13-diazanonacyclo[21.6.1.04,28.05,14.07,12.015,27.018,26.020,25.024,29]triaconta-1(29),2,4(28),5,7,9,11,13,15(27),16,18(26),20(25),21,23-tetradecaene
CID 177481933

Frequently Asked Questions

What is the IUPAC name of 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene?
The IUPAC name of 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene (CID 160703384) is 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene.
What is the SMILES notation for 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene?
The canonical SMILES for 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene is Fc1ccc2c(c1)-c1ccnc3c1c(nc1ccccc13)C2.
What is the InChIKey of 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene?
The InChIKey is LGIKUJUTQYXDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2/c20-12-6-5-11-9-17-18-13(15(11)10-12)7-8-21-19(18)14-3-1-2-4-16(14)22-17/h1-8,10H,9H2.
What are the key properties of 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene?
16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene has a molecular weight of 286.31 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene is sourced from PubChem (CID 160703384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).