3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one

C21H22FNO2 — CID 66917329

IUPAC3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(CC)cc3)c(C)[nH]c12
InChIInChI=1S/C21H22FNO2/c1-4-12-25-17-11-10-16(22)19-20(17)23-13(3)18(21(19)24)15-8-6-14(5-2)7-9-15/h6-11H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyQWVPFCFTPBDREA-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.99
Rot. Bonds5

About 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one

3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one (PubChem CID 66917329) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
PubChem CID66917329
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(CC)cc3)c(C)[nH]c12
InChIInChI=1S/C21H22FNO2/c1-4-12-25-17-11-10-16(22)19-20(17)23-13(3)18(21(19)24)15-8-6-14(5-2)7-9-15/h6-11H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyQWVPFCFTPBDREA-UHFFFAOYSA-N
XLogP4.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 58492441
5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
CID 66917284
5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide
CID 67465371
5-fluoro-3-(4-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-8-propoxy-1H-quinolin-4-one
CID 58492580
methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
CID 66917193
5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 66917298
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
CID 3781970
ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate
CID 90424026
1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene
CID 21134485
8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 25165676

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
The IUPAC name of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one (CID 66917329) is 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one is CCCOc1ccc(F)c2c(=O)c(-c3ccc(CC)cc3)c(C)[nH]c12.
What is the InChIKey of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
The InChIKey is QWVPFCFTPBDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-4-12-25-17-11-10-16(22)19-20(17)23-13(3)18(21(19)24)15-8-6-14(5-2)7-9-15/h6-11H,4-5,12H2,1-3H3,(H,23,24).
What are the key properties of 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one has a molecular weight of 339.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 66917329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).