(5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone

C17H12N2O2S — CID 13055781

IUPAC(5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone
SMILESCOc1cc2nc(C(=O)c3cccs3)cn2c2ccccc12
InChIInChI=1S/C17H12N2O2S/c1-21-14-9-16-18-12(17(20)15-7-4-8-22-15)10-19(16)13-6-3-2-5-11(13)14/h2-10H,1H3
InChIKeyHOPLWYZHBVOVFE-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.79
Rot. Bonds3

About (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone

(5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone (PubChem CID 13055781) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone
PubChem CID13055781
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name(5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone
SMILESCOc1cc2nc(C(=O)c3cccs3)cn2c2ccccc12
InChIInChI=1S/C17H12N2O2S/c1-21-14-9-16-18-12(17(20)15-7-4-8-22-15)10-19(16)13-6-3-2-5-11(13)14/h2-10H,1H3
InChIKeyHOPLWYZHBVOVFE-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone (CID 13055781) is (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone is COc1cc2nc(C(=O)c3cccs3)cn2c2ccccc12.
What is the InChIKey of (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone?
The InChIKey is HOPLWYZHBVOVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c1-21-14-9-16-18-12(17(20)15-7-4-8-22-15)10-19(16)13-6-3-2-5-11(13)14/h2-10H,1H3.
What are the key properties of (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone?
(5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone has a molecular weight of 308.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyimidazo[1,2-a]quinolin-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 13055781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).