3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one

C22H24ClFN2O3S — CID 20905298

IUPAC3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N(CC)CC)cc21
InChIInChI=1S/C22H24ClFN2O3S/c1-4-10-26-14-21(30(28,29)16-9-7-8-15(23)11-16)22(27)17-12-18(24)20(13-19(17)26)25(5-2)6-3/h7-9,11-14H,4-6,10H2,1-3H3
InChIKeyRHAQNDDSWHTSKA-UHFFFAOYSA-N
MW450.96 g/mol
LogP4.88
Rot. Bonds7

About 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one

3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one (PubChem CID 20905298) has the molecular formula C22H24ClFN2O3S and a molecular weight of 450.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one
PubChem CID20905298
Molecular FormulaC22H24ClFN2O3S
Molecular Weight450.96 g/mol
Exact Mass450.12
IUPAC Name3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N(CC)CC)cc21
InChIInChI=1S/C22H24ClFN2O3S/c1-4-10-26-14-21(30(28,29)16-9-7-8-15(23)11-16)22(27)17-12-18(24)20(13-19(17)26)25(5-2)6-3/h7-9,11-14H,4-6,10H2,1-3H3
InChIKeyRHAQNDDSWHTSKA-UHFFFAOYSA-N
XLogP4.88
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one (CID 20905298) is 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one is CCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N(CC)CC)cc21.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one?
The InChIKey is RHAQNDDSWHTSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O3S/c1-4-10-26-14-21(30(28,29)16-9-7-8-15(23)11-16)22(27)17-12-18(24)20(13-19(17)26)25(5-2)6-3/h7-9,11-14H,4-6,10H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one?
3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one has a molecular weight of 450.96 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one is sourced from PubChem (CID 20905298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).