2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline

C29H16F6N2S2 — CID 21044742

IUPAC2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline
SMILESCc1c(C2=C(c3sc4cc5ncccc5cc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2cc3ncccc3cc12
InChIInChI=1S/C29H16F6N2S2/c1-13-17-9-15-5-3-7-36-19(15)11-21(17)38-25(13)23-24(28(32,33)29(34,35)27(23,30)31)26-14(2)18-10-16-6-4-8-37-20(16)12-22(18)39-26/h3-12H,1-2H3
InChIKeyLZANLJYLJFTVBA-UHFFFAOYSA-N
MW570.58 g/mol
LogP9.66
Rot. Bonds2

About 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline

2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline (PubChem CID 21044742) has the molecular formula C29H16F6N2S2 and a molecular weight of 570.58 g/mol. Its IUPAC name is 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline.

Molecular Properties

Compound Name2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline
PubChem CID21044742
Molecular FormulaC29H16F6N2S2
Molecular Weight570.58 g/mol
Exact Mass570.07
IUPAC Name2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline
SMILESCc1c(C2=C(c3sc4cc5ncccc5cc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2cc3ncccc3cc12
InChIInChI=1S/C29H16F6N2S2/c1-13-17-9-15-5-3-7-36-19(15)11-21(17)38-25(13)23-24(28(32,33)29(34,35)27(23,30)31)26-14(2)18-10-16-6-4-8-37-20(16)12-22(18)39-26/h3-12H,1-2H3
InChIKeyLZANLJYLJFTVBA-UHFFFAOYSA-N
XLogP9.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.58
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide
CID 66907534
2-Phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline
CID 71522060
9,15-Bis(2-fluorophenyl)-7,17-dithia-2-azapentacyclo[11.7.0.03,11.04,8.016,20]icosa-1,3,5,8,10,12,14,16(20),18-nonaene
CID 138964147
1,2-Bis[2-methyl-5-(2-pyridyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene
CID 101338868
Thienoquinoline
CID 10976191
Thieno[2,3-f]quinoline
CID 14086596
Benzothiophenoquinoline
CID 57972383
Thiochromenoquinoline
CID 66742944
6-(2-(Benzo[b]thiophen-5-yl)cyclobutyl)quinoline
CID 172635819
4-Fluoro-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 1217398
3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine
CID 11281449
3-(3-Fluorophenyl)-6-thiophen-3-ylquinoline
CID 18788569

Frequently Asked Questions

What is the IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?
The IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline (CID 21044742) is 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline.
What is the SMILES notation for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?
The canonical SMILES for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline is Cc1c(C2=C(c3sc4cc5ncccc5cc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2cc3ncccc3cc12.
What is the InChIKey of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?
The InChIKey is LZANLJYLJFTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16F6N2S2/c1-13-17-9-15-5-3-7-36-19(15)11-21(17)38-25(13)23-24(28(32,33)29(34,35)27(23,30)31)26-14(2)18-10-16-6-4-8-37-20(16)12-22(18)39-26/h3-12H,1-2H3.
What are the key properties of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline?
2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline has a molecular weight of 570.58 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[3,2-g]quinolin-2-yl)cyclopenten-1-yl]-3-methylthieno[3,2-g]quinoline is sourced from PubChem (CID 21044742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).