2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one

C15H14ClNOS — CID 52918118

IUPAC2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ccc(Cl)s3)nc2C1
InChIInChI=1S/C15H14ClNOS/c1-15(2)7-11-9(12(18)8-15)3-4-10(17-11)13-5-6-14(16)19-13/h3-6H,7-8H2,1-2H3
InChIKeyZZIZEBKQNDBMKA-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.62
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one

2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 52918118) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID52918118
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ccc(Cl)s3)nc2C1
InChIInChI=1S/C15H14ClNOS/c1-15(2)7-11-9(12(18)8-15)3-4-10(17-11)13-5-6-14(16)19-13/h3-6H,7-8H2,1-2H3
InChIKeyZZIZEBKQNDBMKA-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 52918118) is 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2ccc(-c3ccc(Cl)s3)nc2C1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is ZZIZEBKQNDBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-15(2)7-11-9(12(18)8-15)3-4-10(17-11)13-5-6-14(16)19-13/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one?
2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one has a molecular weight of 291.80 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 52918118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).