(3-methylthiophen-2-yl)-quinolin-3-ylmethanone

C15H11NOS — CID 114963054

IUPAC(3-methylthiophen-2-yl)-quinolin-3-ylmethanone
SMILESCc1ccsc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H11NOS/c1-10-6-7-18-15(10)14(17)12-8-11-4-2-3-5-13(11)16-9-12/h2-9H,1H3
InChIKeyRNGILHZLUOQZFI-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.84
Rot. Bonds2

About (3-methylthiophen-2-yl)-quinolin-3-ylmethanone

(3-methylthiophen-2-yl)-quinolin-3-ylmethanone (PubChem CID 114963054) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-quinolin-3-ylmethanone
PubChem CID114963054
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name(3-methylthiophen-2-yl)-quinolin-3-ylmethanone
SMILESCc1ccsc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H11NOS/c1-10-6-7-18-15(10)14(17)12-8-11-4-2-3-5-13(11)16-9-12/h2-9H,1H3
InChIKeyRNGILHZLUOQZFI-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-quinolin-3-ylmethanone?
The IUPAC name of (3-methylthiophen-2-yl)-quinolin-3-ylmethanone (CID 114963054) is (3-methylthiophen-2-yl)-quinolin-3-ylmethanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-quinolin-3-ylmethanone?
The canonical SMILES for (3-methylthiophen-2-yl)-quinolin-3-ylmethanone is Cc1ccsc1C(=O)c1cnc2ccccc2c1.
What is the InChIKey of (3-methylthiophen-2-yl)-quinolin-3-ylmethanone?
The InChIKey is RNGILHZLUOQZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10-6-7-18-15(10)14(17)12-8-11-4-2-3-5-13(11)16-9-12/h2-9H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-quinolin-3-ylmethanone?
(3-methylthiophen-2-yl)-quinolin-3-ylmethanone has a molecular weight of 253.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-quinolin-3-ylmethanone is sourced from PubChem (CID 114963054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).