3-(3-methoxy-1-benzothiophen-2-yl)quinoline

C18H13NOS — CID 11312364

IUPAC3-(3-methoxy-1-benzothiophen-2-yl)quinoline
SMILESCOc1c(-c2cnc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C18H13NOS/c1-20-17-14-7-3-5-9-16(14)21-18(17)13-10-12-6-2-4-8-15(12)19-11-13/h2-11H,1H3
InChIKeyRJDIQRIPIFLKNX-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.13
Rot. Bonds2

About 3-(3-methoxy-1-benzothiophen-2-yl)quinoline

3-(3-methoxy-1-benzothiophen-2-yl)quinoline (PubChem CID 11312364) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(3-methoxy-1-benzothiophen-2-yl)quinoline.

Molecular Properties

Compound Name3-(3-methoxy-1-benzothiophen-2-yl)quinoline
PubChem CID11312364
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name3-(3-methoxy-1-benzothiophen-2-yl)quinoline
SMILESCOc1c(-c2cnc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C18H13NOS/c1-20-17-14-7-3-5-9-16(14)21-18(17)13-10-12-6-2-4-8-15(12)19-11-13/h2-11H,1H3
InChIKeyRJDIQRIPIFLKNX-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1-benzothiophen-2-yl)quinoline?
The IUPAC name of 3-(3-methoxy-1-benzothiophen-2-yl)quinoline (CID 11312364) is 3-(3-methoxy-1-benzothiophen-2-yl)quinoline.
What is the SMILES notation for 3-(3-methoxy-1-benzothiophen-2-yl)quinoline?
The canonical SMILES for 3-(3-methoxy-1-benzothiophen-2-yl)quinoline is COc1c(-c2cnc3ccccc3c2)sc2ccccc12.
What is the InChIKey of 3-(3-methoxy-1-benzothiophen-2-yl)quinoline?
The InChIKey is RJDIQRIPIFLKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c1-20-17-14-7-3-5-9-16(14)21-18(17)13-10-12-6-2-4-8-15(12)19-11-13/h2-11H,1H3.
What are the key properties of 3-(3-methoxy-1-benzothiophen-2-yl)quinoline?
3-(3-methoxy-1-benzothiophen-2-yl)quinoline has a molecular weight of 291.38 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1-benzothiophen-2-yl)quinoline is sourced from PubChem (CID 11312364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).