2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium

C26H23FNO+ — CID 153464615

IUPAC2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
SMILESCc1ccc2c(oc3cc(F)c4ccccc4c32)c1-c1cc(C(C)C)cc[n+]1C
InChIInChI=1S/C26H23FNO/c1-15(2)17-11-12-28(4)22(13-17)24-16(3)9-10-20-25-19-8-6-5-7-18(19)21(27)14-23(25)29-26(20)24/h5-15H,1-4H3/q+1
InChIKeyUPTCHRFGFZMWQD-UHFFFAOYSA-N
MW384.47 g/mol
LogP6.80
Rot. Bonds2

About 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium

2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium (PubChem CID 153464615) has the molecular formula C26H23FNO+ and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
PubChem CID153464615
Molecular FormulaC26H23FNO+
Molecular Weight384.47 g/mol
Exact Mass384.18
IUPAC Name2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
SMILESCc1ccc2c(oc3cc(F)c4ccccc4c32)c1-c1cc(C(C)C)cc[n+]1C
InChIInChI=1S/C26H23FNO/c1-15(2)17-11-12-28(4)22(13-17)24-16(3)9-10-20-25-19-8-6-5-7-18(19)21(27)14-23(25)29-26(20)24/h5-15H,1-4H3/q+1
InChIKeyUPTCHRFGFZMWQD-UHFFFAOYSA-N
XLogP6.80
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium 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

Jwh 081
CID 10547208
NM-2201
CID 91864534
Jwh-166
CID 11372171
1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate
CID 119025888
(5-(2-methoxyphenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418317
Jwh-367
CID 44418330
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
CID 10319620
(7-methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
CID 45271217
(7-Methoxynaphthalen-1-yl)(1-propyl-1H-indol-3-yl)methanone
CID 45271218
4-[7-Propan-2-yl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid
CID 10254584
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
4-[4,4,7,7-Tetramethyl-12-(pyridin-3-ylmethyl)-17-oxa-12-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13-pentaen-14-yl]benzoic acid
CID 10028621

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The IUPAC name of 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium (CID 153464615) is 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The canonical SMILES for 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium is Cc1ccc2c(oc3cc(F)c4ccccc4c32)c1-c1cc(C(C)C)cc[n+]1C.
What is the InChIKey of 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The InChIKey is UPTCHRFGFZMWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FNO/c1-15(2)17-11-12-28(4)22(13-17)24-16(3)9-10-20-25-19-8-6-5-7-18(19)21(27)14-23(25)29-26(20)24/h5-15H,1-4H3/q+1.
What are the key properties of 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium has a molecular weight of 384.47 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 153464615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).