6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene

C19H11FN2O — CID 132849950

IUPAC6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene
SMILESFc1ccc2c(c1)-c1nc3cnc4ccccc4c3cc1CO2
InChIInChI=1S/C19H11FN2O/c20-12-5-6-18-15(8-12)19-11(10-23-18)7-14-13-3-1-2-4-16(13)21-9-17(14)22-19/h1-9H,10H2
InChIKeyZFXSMXKLNPFSAS-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.48
Rot. Bonds

About 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene

6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene (PubChem CID 132849950) has the molecular formula C19H11FN2O and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene.

Molecular Properties

Compound Name6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene
PubChem CID132849950
Molecular FormulaC19H11FN2O
Molecular Weight302.31 g/mol
Exact Mass302.09
IUPAC Name6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene
SMILESFc1ccc2c(c1)-c1nc3cnc4ccccc4c3cc1CO2
InChIInChI=1S/C19H11FN2O/c20-12-5-6-18-15(8-12)19-11(10-23-18)7-14-13-3-1-2-4-16(13)21-9-17(14)22-19/h1-9H,10H2
InChIKeyZFXSMXKLNPFSAS-UHFFFAOYSA-N
XLogP4.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene?
The IUPAC name of 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene (CID 132849950) is 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene.
What is the SMILES notation for 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene?
The canonical SMILES for 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene is Fc1ccc2c(c1)-c1nc3cnc4ccccc4c3cc1CO2.
What is the InChIKey of 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene?
The InChIKey is ZFXSMXKLNPFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O/c20-12-5-6-18-15(8-12)19-11(10-23-18)7-14-13-3-1-2-4-16(13)21-9-17(14)22-19/h1-9H,10H2.
What are the key properties of 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene?
6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene has a molecular weight of 302.31 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15,17,19,21-decaene is sourced from PubChem (CID 132849950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).