18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene

C20H12FNO2 — CID 71145177

IUPAC18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
SMILESCOc1cc(F)c2nc3c4c(cccc4c2c1)Oc1ccccc1-3
InChIInChI=1S/C20H12FNO2/c1-23-11-9-14-12-6-4-8-17-18(12)20(22-19(14)15(21)10-11)13-5-2-3-7-16(13)24-17/h2-10H,1H3
InChIKeyIWOQTOWSGRBUAY-UHFFFAOYSA-N
MW317.32 g/mol
LogP5.31
Rot. Bonds1

About 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene

18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene (PubChem CID 71145177) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
PubChem CID71145177
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
SMILESCOc1cc(F)c2nc3c4c(cccc4c2c1)Oc1ccccc1-3
InChIInChI=1S/C20H12FNO2/c1-23-11-9-14-12-6-4-8-17-18(12)20(22-19(14)15(21)10-11)13-5-2-3-7-16(13)24-17/h2-10H,1H3
InChIKeyIWOQTOWSGRBUAY-UHFFFAOYSA-N
XLogP5.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene with MolForge

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Related Compounds

4-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
CID 71165291
1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline
CID 73387860
(4-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-17-yl) trifluoromethanesulfonate
CID 89330693
17-(methoxymethoxy)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
CID 71476808
16-fluoro-18-methoxypentacyclo[12.6.0.02,7.08,13.015,20]icosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 134938970
4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508
12-benzo[a]anthracen-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171044531
15-(6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaen-6-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 154597919
4,16-difluoro-20-methyl-17-(1H-pyrazol-4-yl)-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaene
CID 71145604
3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one
CID 68978804
1-fluoro-3-methoxyxanthen-9-one
CID 155932992
5,12-dimethoxyrubicene
CID 10667865

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
The IUPAC name of 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene (CID 71145177) is 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene.
What is the SMILES notation for 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
The canonical SMILES for 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene is COc1cc(F)c2nc3c4c(cccc4c2c1)Oc1ccccc1-3.
What is the InChIKey of 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
The InChIKey is IWOQTOWSGRBUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c1-23-11-9-14-12-6-4-8-17-18(12)20(22-19(14)15(21)10-11)13-5-2-3-7-16(13)24-17/h2-10H,1H3.
What are the key properties of 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene has a molecular weight of 317.32 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-16-methoxy-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene is sourced from PubChem (CID 71145177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).