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

C21H15NOS — CID 3080468

IUPAC2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
SMILESCOc1ccc2nc(-c3cccs3)c3c(c2c1)-c1ccccc1C3
InChIInChI=1S/C21H15NOS/c1-23-14-8-9-18-16(12-14)20-15-6-3-2-5-13(15)11-17(20)21(22-18)19-7-4-10-24-19/h2-10,12H,11H2,1H3
InChIKeyXINMWPWMLLQEOT-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.54
Rot. Bonds2

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

2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline (PubChem CID 3080468) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline.

Molecular Properties

Compound Name2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
PubChem CID3080468
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
SMILESCOc1ccc2nc(-c3cccs3)c3c(c2c1)-c1ccccc1C3
InChIInChI=1S/C21H15NOS/c1-23-14-8-9-18-16(12-14)20-15-6-3-2-5-13(15)11-17(20)21(22-18)19-7-4-10-24-19/h2-10,12H,11H2,1H3
InChIKeyXINMWPWMLLQEOT-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 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The IUPAC name of 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline (CID 3080468) is 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline.
What is the SMILES notation for 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The canonical SMILES for 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline is COc1ccc2nc(-c3cccs3)c3c(c2c1)-c1ccccc1C3.
What is the InChIKey of 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
The InChIKey is XINMWPWMLLQEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c1-23-14-8-9-18-16(12-14)20-15-6-3-2-5-13(15)11-17(20)21(22-18)19-7-4-10-24-19/h2-10,12H,11H2,1H3.
What are the key properties of 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline?
2-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 2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline is sourced from PubChem (CID 3080468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).