5-thiophen-3-ylbenzo[f]quinoline

C17H11NS — CID 132529333

IUPAC5-thiophen-3-ylbenzo[f]quinoline
SMILESc1ccc2c(c1)cc(-c1ccsc1)c1ncccc12
InChIInChI=1S/C17H11NS/c1-2-5-14-12(4-1)10-16(13-7-9-19-11-13)17-15(14)6-3-8-18-17/h1-11H
InChIKeyDAJRNWCNFTWDPK-UHFFFAOYSA-N
MW261.35 g/mol
LogP5.12
Rot. Bonds1

About 5-thiophen-3-ylbenzo[f]quinoline

5-thiophen-3-ylbenzo[f]quinoline (PubChem CID 132529333) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-thiophen-3-ylbenzo[f]quinoline.

Molecular Properties

Compound Name5-thiophen-3-ylbenzo[f]quinoline
PubChem CID132529333
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name5-thiophen-3-ylbenzo[f]quinoline
SMILESc1ccc2c(c1)cc(-c1ccsc1)c1ncccc12
InChIInChI=1S/C17H11NS/c1-2-5-14-12(4-1)10-16(13-7-9-19-11-13)17-15(14)6-3-8-18-17/h1-11H
InChIKeyDAJRNWCNFTWDPK-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,12-di(phenanthren-9-yl)quinolino[8,7-h]quinoline
CID 88544757
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
5-phenanthren-9-yl-3,4,6,15-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene
CID 137491057
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
3-(1-bromonaphthalen-2-yl)thiophene
CID 68643635
2,6-di(phenanthren-9-yl)-4-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 89137285
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
8-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322534
6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 147415127
benzo[g]quinolin-10-amine
CID 23616349
3-phenyl-2-thiophen-3-ylquinoline
CID 164677257

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-ylbenzo[f]quinoline?
The IUPAC name of 5-thiophen-3-ylbenzo[f]quinoline (CID 132529333) is 5-thiophen-3-ylbenzo[f]quinoline.
What is the SMILES notation for 5-thiophen-3-ylbenzo[f]quinoline?
The canonical SMILES for 5-thiophen-3-ylbenzo[f]quinoline is c1ccc2c(c1)cc(-c1ccsc1)c1ncccc12.
What is the InChIKey of 5-thiophen-3-ylbenzo[f]quinoline?
The InChIKey is DAJRNWCNFTWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-5-14-12(4-1)10-16(13-7-9-19-11-13)17-15(14)6-3-8-18-17/h1-11H.
What are the key properties of 5-thiophen-3-ylbenzo[f]quinoline?
5-thiophen-3-ylbenzo[f]quinoline has a molecular weight of 261.35 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-ylbenzo[f]quinoline is sourced from PubChem (CID 132529333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).