3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline

C21H15NOS — CID 3080469

IUPAC3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
SMILESCOc1ccc2c3c(c(-c4cccs4)nc2c1)Cc1ccccc1-3
InChIInChI=1S/C21H15NOS/c1-23-14-8-9-16-18(12-14)22-21(19-7-4-10-24-19)17-11-13-5-2-3-6-15(13)20(16)17/h2-10,12H,11H2,1H3
InChIKeyQPOKAELTNMEBOG-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.54
Rot. Bonds2

About 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline

3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline (PubChem CID 3080469) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline.

Molecular Properties

Compound Name3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
PubChem CID3080469
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
SMILESCOc1ccc2c3c(c(-c4cccs4)nc2c1)Cc1ccccc1-3
InChIInChI=1S/C21H15NOS/c1-23-14-8-9-16-18(12-14)22-21(19-7-4-10-24-19)17-11-13-5-2-3-6-15(13)20(16)17/h2-10,12H,11H2,1H3
InChIKeyQPOKAELTNMEBOG-UHFFFAOYSA-N
XLogP5.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The IUPAC name of 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline (CID 3080469) is 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline.
What is the SMILES notation for 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The canonical SMILES for 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline is COc1ccc2c3c(c(-c4cccs4)nc2c1)Cc1ccccc1-3.
What is the InChIKey of 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The InChIKey is QPOKAELTNMEBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c1-23-14-8-9-16-18(12-14)22-21(19-7-4-10-24-19)17-11-13-5-2-3-6-15(13)20(16)17/h2-10,12H,11H2,1H3.
What are the key properties of 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline has a molecular weight of 329.42 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline is sourced from PubChem (CID 3080469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).