11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline

C20H14N2S — CID 126483472

IUPAC11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
SMILESCc1cccn2c1cc1c3ccccc3nc(-c3cccs3)c12
InChIInChI=1S/C20H14N2S/c1-13-6-4-10-22-17(13)12-15-14-7-2-3-8-16(14)21-19(20(15)22)18-9-5-11-23-18/h2-12H,1H3
InChIKeyZRMCIPHADNOVHO-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.68
Rot. Bonds1

About 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline

11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline (PubChem CID 126483472) has the molecular formula C20H14N2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline.

Molecular Properties

Compound Name11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
PubChem CID126483472
Molecular FormulaC20H14N2S
Molecular Weight314.41 g/mol
Exact Mass314.09
IUPAC Name11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
SMILESCc1cccn2c1cc1c3ccccc3nc(-c3cccs3)c12
InChIInChI=1S/C20H14N2S/c1-13-6-4-10-22-17(13)12-15-14-7-2-3-8-16(14)21-19(20(15)22)18-9-5-11-23-18/h2-12H,1H3
InChIKeyZRMCIPHADNOVHO-UHFFFAOYSA-N
XLogP5.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline?
The IUPAC name of 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline (CID 126483472) is 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline.
What is the SMILES notation for 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline?
The canonical SMILES for 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline is Cc1cccn2c1cc1c3ccccc3nc(-c3cccs3)c12.
What is the InChIKey of 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline?
The InChIKey is ZRMCIPHADNOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S/c1-13-6-4-10-22-17(13)12-15-14-7-2-3-8-16(14)21-19(20(15)22)18-9-5-11-23-18/h2-12H,1H3.
What are the key properties of 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline?
11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline has a molecular weight of 314.41 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline is sourced from PubChem (CID 126483472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).