1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline

C27H14F2N2OS — CID 171407338

IUPAC1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCc1cc(-c2nc3ccc(F)c(F)c3c3c2oc2ccccc23)cc2c1sc1ncccc12
InChIInChI=1S/C27H14F2N2OS/c1-13-11-14(12-17-15-6-4-10-30-27(15)33-26(13)17)24-25-21(16-5-2-3-7-20(16)32-25)22-19(31-24)9-8-18(28)23(22)29/h2-12H,1H3
InChIKeyQVWSQLDJCQUHMC-UHFFFAOYSA-N
MW452.49 g/mol
LogP8.15
Rot. Bonds1

About 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline

1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline (PubChem CID 171407338) has the molecular formula C27H14F2N2OS and a molecular weight of 452.49 g/mol. Its IUPAC name is 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline
PubChem CID171407338
Molecular FormulaC27H14F2N2OS
Molecular Weight452.49 g/mol
Exact Mass452.08
IUPAC Name1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCc1cc(-c2nc3ccc(F)c(F)c3c3c2oc2ccccc23)cc2c1sc1ncccc12
InChIInChI=1S/C27H14F2N2OS/c1-13-11-14(12-17-15-6-4-10-30-27(15)33-26(13)17)24-25-21(16-5-2-3-7-20(16)32-25)22-19(31-24)9-8-18(28)23(22)29/h2-12H,1H3
InChIKeyQVWSQLDJCQUHMC-UHFFFAOYSA-N
XLogP8.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline with MolForge

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Related Compounds

Dimethyl-[2-(7-oxa-5-aza-benzo[c]fluoren-6-ylsulfanyl)-ethyl]-amine
CID 10336267
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
12-[4-[10-(4-Fluorophenyl)anthracen-9-yl]phenyl]-14-oxa-9-thia-11-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 170063456
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-2-(3,5-difluorophenyl)aniline
CID 140881750
1-(3,5-Dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168736802
3-Ethyl-10-fluoro-9-methyl-6-(4-methyl-6-propan-2-yldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
CID 171407314
11-Fluoro-6-(4-methyldibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
CID 171407320
6-(7-Fluorodibenzothiophen-2-yl)-[1]benzofuro[2,3-c]quinoline
CID 171407324
3-[2-(1-Benzofuran-2-yl)-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68774415
1-[10-([1]Benzothiolo[2,3-c]pyridin-1-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 88857597
1-[4-[10-[4-([1]Benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 88857602
8-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89849992

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline (CID 171407338) is 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline is Cc1cc(-c2nc3ccc(F)c(F)c3c3c2oc2ccccc23)cc2c1sc1ncccc12.
What is the InChIKey of 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline?
The InChIKey is QVWSQLDJCQUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F2N2OS/c1-13-11-14(12-17-15-6-4-10-30-27(15)33-26(13)17)24-25-21(16-5-2-3-7-20(16)32-25)22-19(31-24)9-8-18(28)23(22)29/h2-12H,1H3.
What are the key properties of 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline?
1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline has a molecular weight of 452.49 g/mol, XLogP of 8.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-6-(8-methyl-[1]benzothiolo[2,3-b]pyridin-6-yl)-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 171407338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).