2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one

C19H16ClNO3 — CID 2965787

IUPAC2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one
SMILESCOc1cc(Cl)c(C=Cc2cc(=O)c3ccccc3[nH]2)cc1OC
InChIInChI=1S/C19H16ClNO3/c1-23-18-9-12(15(20)11-19(18)24-2)7-8-13-10-17(22)14-5-3-4-6-16(14)21-13/h3-11H,1-2H3,(H,21,22)
InChIKeyZEZHCKOLEAJJAK-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.37
Rot. Bonds4

About 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one

2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one (PubChem CID 2965787) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one
PubChem CID2965787
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one
SMILESCOc1cc(Cl)c(C=Cc2cc(=O)c3ccccc3[nH]2)cc1OC
InChIInChI=1S/C19H16ClNO3/c1-23-18-9-12(15(20)11-19(18)24-2)7-8-13-10-17(22)14-5-3-4-6-16(14)21-13/h3-11H,1-2H3,(H,21,22)
InChIKeyZEZHCKOLEAJJAK-UHFFFAOYSA-N
XLogP4.37
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one?
The IUPAC name of 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one (CID 2965787) is 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one is COc1cc(Cl)c(C=Cc2cc(=O)c3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one?
The InChIKey is ZEZHCKOLEAJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-23-18-9-12(15(20)11-19(18)24-2)7-8-13-10-17(22)14-5-3-4-6-16(14)21-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one?
2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one has a molecular weight of 341.79 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one is sourced from PubChem (CID 2965787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).