4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

C26H18FN2O2+ — CID 71165321

IUPAC4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
SMILESCOc1cccc(-c2ccc3c4cccc5c4c([n+](C)c3c2)-c2cc(F)ccc2O5)n1
InChIInChI=1S/C26H18FN2O2/c1-29-21-13-15(20-6-4-8-24(28-20)30-2)9-11-17(21)18-5-3-7-23-25(18)26(29)19-14-16(27)10-12-22(19)31-23/h3-14H,1-2H3/q+1
InChIKeySPWRDDFSKMRZMT-UHFFFAOYSA-N
MW409.44 g/mol
LogP5.80
Rot. Bonds2

About 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (PubChem CID 71165321) has the molecular formula C26H18FN2O2+ and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
PubChem CID71165321
Molecular FormulaC26H18FN2O2+
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC Name4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
SMILESCOc1cccc(-c2ccc3c4cccc5c4c([n+](C)c3c2)-c2cc(F)ccc2O5)n1
InChIInChI=1S/C26H18FN2O2/c1-29-21-13-15(20-6-4-8-24(28-20)30-2)9-11-17(21)18-5-3-7-23-25(18)26(29)19-14-16(27)10-12-22(19)31-23/h3-14H,1-2H3/q+1
InChIKeySPWRDDFSKMRZMT-UHFFFAOYSA-N
XLogP5.80
TPSA35.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-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

2-Methyl-5-[2-[4-[(3-piperidin-1-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127424
2-Methyl-5-[2-[4-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10195275
5-[2-[4-[(3-Methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
CID 10172853
2-Methyl-5-[2-[4-(quinolin-5-ylmethyl)piperazin-1-yl]ethoxy]quinoline
CID 10173169
(2S,6R)-2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 10174088
2-Methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 10216744
4-[3-[[1-[2-(2-Methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 10310423
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-7-yl-ethyl)-amine
CID 10737264
14,22-Dipropyl-8-oxa-22-aza-14-azoniahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1(21),2,4,6,9,11,13,15,17,19-decaene
CID 101144160
methyl (E)-3-(11-methoxy-8,20-dimethyl-8-aza-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-decaen-5-yl)prop-2-enoate iodide
CID 11692343
6-Fluoro-2,3-bis{4-[2-(piperidin-1-yl)ethoxy]phenyl} quinoline
CID 52918170
2,3,9-Trimethoxy-12-methyl-8-(3-piperidin-1-ylpropoxy)-5,6-dihydrobenzo[c]acridin-12-ium chloride
CID 60167446

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The IUPAC name of 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (CID 71165321) is 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.
What is the SMILES notation for 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The canonical SMILES for 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is COc1cccc(-c2ccc3c4cccc5c4c([n+](C)c3c2)-c2cc(F)ccc2O5)n1.
What is the InChIKey of 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The InChIKey is SPWRDDFSKMRZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN2O2/c1-29-21-13-15(20-6-4-8-24(28-20)30-2)9-11-17(21)18-5-3-7-23-25(18)26(29)19-14-16(27)10-12-22(19)31-23/h3-14H,1-2H3/q+1.
What are the key properties of 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene has a molecular weight of 409.44 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-17-(6-methoxy-2-pyridinyl)-20-methyl-8-oxa-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is sourced from PubChem (CID 71165321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).