7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one

C15H15NOS — CID 53324821

IUPAC7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3cccs3)nc2C1
InChIInChI=1S/C15H15NOS/c1-15(2)8-12-10(13(17)9-15)5-6-11(16-12)14-4-3-7-18-14/h3-7H,8-9H2,1-2H3
InChIKeyIECZTXWMGGJRON-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.97
Rot. Bonds1

About 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one

7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one (PubChem CID 53324821) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one
PubChem CID53324821
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3cccs3)nc2C1
InChIInChI=1S/C15H15NOS/c1-15(2)8-12-10(13(17)9-15)5-6-11(16-12)14-4-3-7-18-14/h3-7H,8-9H2,1-2H3
InChIKeyIECZTXWMGGJRON-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one?
The IUPAC name of 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one (CID 53324821) is 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2ccc(-c3cccs3)nc2C1.
What is the InChIKey of 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one?
The InChIKey is IECZTXWMGGJRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-15(2)8-12-10(13(17)9-15)5-6-11(16-12)14-4-3-7-18-14/h3-7H,8-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one?
7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one has a molecular weight of 257.36 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-thiophen-2-yl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 53324821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).