(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone

C16H13NO2S — CID 115790453

IUPAC(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone
SMILESCOc1csc(C(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C16H13NO2S/c1-10-3-4-11-7-12(5-6-14(11)17-10)16(18)15-8-13(19-2)9-20-15/h3-9H,1-2H3
InChIKeyKYJSCRXIYHGUMW-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.84
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone

(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone (PubChem CID 115790453) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone
PubChem CID115790453
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone
SMILESCOc1csc(C(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C16H13NO2S/c1-10-3-4-11-7-12(5-6-14(11)17-10)16(18)15-8-13(19-2)9-20-15/h3-9H,1-2H3
InChIKeyKYJSCRXIYHGUMW-UHFFFAOYSA-N
XLogP3.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone (CID 115790453) is (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone is COc1csc(C(=O)c2ccc3nc(C)ccc3c2)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is KYJSCRXIYHGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-10-3-4-11-7-12(5-6-14(11)17-10)16(18)15-8-13(19-2)9-20-15/h3-9H,1-2H3.
What are the key properties of (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone?
(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 115790453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).