11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline

C28H16FNOS — CID 171407320

IUPAC11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCc1cc(-c2nc3ccccc3c3c2oc2cccc(F)c23)cc2c1sc1ccccc12
InChIInChI=1S/C28H16FNOS/c1-15-13-16(14-19-17-7-3-5-12-23(17)32-28(15)19)26-27-24(18-8-2-4-10-21(18)30-26)25-20(29)9-6-11-22(25)31-27/h2-14H,1H3
InChIKeyGGBPTUIBJOWQDG-UHFFFAOYSA-N
MW433.51 g/mol
LogP8.62
Rot. Bonds1

About 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline

11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline (PubChem CID 171407320) has the molecular formula C28H16FNOS and a molecular weight of 433.51 g/mol. Its IUPAC name is 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
PubChem CID171407320
Molecular FormulaC28H16FNOS
Molecular Weight433.51 g/mol
Exact Mass433.09
IUPAC Name11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCc1cc(-c2nc3ccccc3c3c2oc2cccc(F)c23)cc2c1sc1ccccc12
InChIInChI=1S/C28H16FNOS/c1-15-13-16(14-19-17-7-3-5-12-23(17)32-28(15)19)26-27-24(18-8-2-4-10-21(18)30-26)25-20(29)9-6-11-22(25)31-27/h2-14H,1H3
InChIKeyGGBPTUIBJOWQDG-UHFFFAOYSA-N
XLogP8.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-N-(2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145964404
Dimethyl-[2-(7-oxa-5-aza-benzo[c]fluoren-6-ylsulfanyl)-ethyl]-amine
CID 10336267
N'-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinolin-11-yl]propane-1,3-diamine
CID 145976523
N',N'-dimethyl-N-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinolin-11-yl]propane-1,3-diamine
CID 145966027
N,N,N'-trimethyl-N'-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinolin-11-yl]propane-1,3-diamine
CID 145968921
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145970738
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-N-(2-thiophen-2-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145964389
11-(4-methylpiperazin-1-yl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinoline
CID 145965081
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-N-(2-phenylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145973090
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-11-morpholin-4-yl-[1]benzofuro[3,2-b]quinoline
CID 145977454
N-[2-(4-fluorophenyl)ethyl]-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 145978747
2-[4-(2,8-Diphenyldibenzothiophen-4-yl)phenyl]benzoxazole
CID 67608627

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline (CID 171407320) is 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline is Cc1cc(-c2nc3ccccc3c3c2oc2cccc(F)c23)cc2c1sc1ccccc12.
What is the InChIKey of 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
The InChIKey is GGBPTUIBJOWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16FNOS/c1-15-13-16(14-19-17-7-3-5-12-23(17)32-28(15)19)26-27-24(18-8-2-4-10-21(18)30-26)25-20(29)9-6-11-22(25)31-27/h2-14H,1H3.
What are the key properties of 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline?
11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline has a molecular weight of 433.51 g/mol, XLogP of 8.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 171407320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).