6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline

C20H13ClN2O — CID 126483473

IUPAC6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline
SMILESCc1cccn2c1cc1c3ccccc3nc(-c3ccc(Cl)o3)c12
InChIInChI=1S/C20H13ClN2O/c1-12-5-4-10-23-16(12)11-14-13-6-2-3-7-15(13)22-19(20(14)23)17-8-9-18(21)24-17/h2-11H,1H3
InChIKeyJMFVZWNFXNGWRC-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.86
Rot. Bonds1

About 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline

6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline (PubChem CID 126483473) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline.

Molecular Properties

Compound Name6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline
PubChem CID126483473
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline
SMILESCc1cccn2c1cc1c3ccccc3nc(-c3ccc(Cl)o3)c12
InChIInChI=1S/C20H13ClN2O/c1-12-5-4-10-23-16(12)11-14-13-6-2-3-7-15(13)22-19(20(14)23)17-8-9-18(21)24-17/h2-11H,1H3
InChIKeyJMFVZWNFXNGWRC-UHFFFAOYSA-N
XLogP5.86
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline?
The IUPAC name of 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline (CID 126483473) is 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline.
What is the SMILES notation for 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline?
The canonical SMILES for 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline is Cc1cccn2c1cc1c3ccccc3nc(-c3ccc(Cl)o3)c12.
What is the InChIKey of 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline?
The InChIKey is JMFVZWNFXNGWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c1-12-5-4-10-23-16(12)11-14-13-6-2-3-7-15(13)22-19(20(14)23)17-8-9-18(21)24-17/h2-11H,1H3.
What are the key properties of 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline?
6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline has a molecular weight of 332.79 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorofuran-2-yl)-11-methylindolizino[3,2-c]quinoline is sourced from PubChem (CID 126483473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).