(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone

C16H13NOS — CID 115790953

IUPAC(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
SMILESCc1cc(C(=O)c2ccc3cccnc3c2)sc1C
InChIInChI=1S/C16H13NOS/c1-10-8-15(19-11(10)2)16(18)13-6-5-12-4-3-7-17-14(12)9-13/h3-9H,1-2H3
InChIKeyDDEUMQALQXLTHS-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.14
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone

(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone (PubChem CID 115790953) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
PubChem CID115790953
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
SMILESCc1cc(C(=O)c2ccc3cccnc3c2)sc1C
InChIInChI=1S/C16H13NOS/c1-10-8-15(19-11(10)2)16(18)13-6-5-12-4-3-7-17-14(12)9-13/h3-9H,1-2H3
InChIKeyDDEUMQALQXLTHS-UHFFFAOYSA-N
XLogP4.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone (CID 115790953) is (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone is Cc1cc(C(=O)c2ccc3cccnc3c2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone?
The InChIKey is DDEUMQALQXLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-10-8-15(19-11(10)2)16(18)13-6-5-12-4-3-7-17-14(12)9-13/h3-9H,1-2H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone?
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone has a molecular weight of 267.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone is sourced from PubChem (CID 115790953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).