2-(3-methylthiophen-2-yl)-1H-quinolin-4-one

C14H11NOS — CID 134144505

IUPAC2-(3-methylthiophen-2-yl)-1H-quinolin-4-one
SMILESCc1ccsc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H11NOS/c1-9-6-7-17-14(9)12-8-13(16)10-4-2-3-5-11(10)15-12/h2-8H,1H3,(H,15,16)
InChIKeyGDTXKKCTRYYBMN-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.57
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one

2-(3-methylthiophen-2-yl)-1H-quinolin-4-one (PubChem CID 134144505) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-1H-quinolin-4-one
PubChem CID134144505
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name2-(3-methylthiophen-2-yl)-1H-quinolin-4-one
SMILESCc1ccsc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H11NOS/c1-9-6-7-17-14(9)12-8-13(16)10-4-2-3-5-11(10)15-12/h2-8H,1H3,(H,15,16)
InChIKeyGDTXKKCTRYYBMN-UHFFFAOYSA-N
XLogP3.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one (CID 134144505) is 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one is Cc1ccsc1-c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one?
The InChIKey is GDTXKKCTRYYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-6-7-17-14(9)12-8-13(16)10-4-2-3-5-11(10)15-12/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one?
2-(3-methylthiophen-2-yl)-1H-quinolin-4-one has a molecular weight of 241.32 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 134144505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).