2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one

C19H18ClNO — CID 58891594

IUPAC2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one
SMILESCCn1c(CCc2cccc(Cl)c2)cc(=O)c2ccccc21
InChIInChI=1S/C19H18ClNO/c1-2-21-16(11-10-14-6-5-7-15(20)12-14)13-19(22)17-8-3-4-9-18(17)21/h3-9,12-13H,2,10-11H2,1H3
InChIKeyNZFGONICFFUAAX-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.46
Rot. Bonds4

About 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one

2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one (PubChem CID 58891594) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one
PubChem CID58891594
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one
SMILESCCn1c(CCc2cccc(Cl)c2)cc(=O)c2ccccc21
InChIInChI=1S/C19H18ClNO/c1-2-21-16(11-10-14-6-5-7-15(20)12-14)13-19(22)17-8-3-4-9-18(17)21/h3-9,12-13H,2,10-11H2,1H3
InChIKeyNZFGONICFFUAAX-UHFFFAOYSA-N
XLogP4.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one (CID 58891594) is 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one is CCn1c(CCc2cccc(Cl)c2)cc(=O)c2ccccc21.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one?
The InChIKey is NZFGONICFFUAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-2-21-16(11-10-14-6-5-7-15(20)12-14)13-19(22)17-8-3-4-9-18(17)21/h3-9,12-13H,2,10-11H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one?
2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one has a molecular weight of 311.81 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyl]-1-ethylquinolin-4-one is sourced from PubChem (CID 58891594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).