3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one

C19H18FNO4 — CID 66917235

IUPAC3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one
SMILESCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3OC)c[nH]c12
InChIInChI=1S/C19H18FNO4/c1-4-25-15-8-7-14(20)17-18(15)21-10-13(19(17)22)12-6-5-11(23-2)9-16(12)24-3/h5-10H,4H2,1-3H3,(H,21,22)
InChIKeyYXQNQVBLPWZNAG-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.75
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one

3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one (PubChem CID 66917235) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one
PubChem CID66917235
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one
SMILESCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3OC)c[nH]c12
InChIInChI=1S/C19H18FNO4/c1-4-25-15-8-7-14(20)17-18(15)21-10-13(19(17)22)12-6-5-11(23-2)9-16(12)24-3/h5-10H,4H2,1-3H3,(H,21,22)
InChIKeyYXQNQVBLPWZNAG-UHFFFAOYSA-N
XLogP3.75
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one (CID 66917235) is 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one is CCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3OC)c[nH]c12.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one?
The InChIKey is YXQNQVBLPWZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-4-25-15-8-7-14(20)17-18(15)21-10-13(19(17)22)12-6-5-11(23-2)9-16(12)24-3/h5-10H,4H2,1-3H3,(H,21,22).
What are the key properties of 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one?
3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one has a molecular weight of 343.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 66917235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).