5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one

C14H16ClNO2 — CID 14501445

IUPAC5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESCC(C)(C)C(=O)N1CCC(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H16ClNO2/c1-14(2,3)13(18)16-8-7-11(17)12-9(15)5-4-6-10(12)16/h4-6H,7-8H2,1-3H3
InChIKeySAJRJFHFOUOQNN-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.31
Rot. Bonds

About 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one

5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one (PubChem CID 14501445) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one
PubChem CID14501445
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESCC(C)(C)C(=O)N1CCC(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H16ClNO2/c1-14(2,3)13(18)16-8-7-11(17)12-9(15)5-4-6-10(12)16/h4-6H,7-8H2,1-3H3
InChIKeySAJRJFHFOUOQNN-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one (CID 14501445) is 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one is CC(C)(C)C(=O)N1CCC(=O)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is SAJRJFHFOUOQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-14(2,3)13(18)16-8-7-11(17)12-9(15)5-4-6-10(12)16/h4-6H,7-8H2,1-3H3.
What are the key properties of 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one?
5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 265.74 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 14501445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).