1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one

C22H23FN2O4S — CID 20905220

IUPAC1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C22H23FN2O4S/c1-3-24-14-21(30(27,28)16-6-4-5-15(2)11-16)22(26)17-12-18(23)20(13-19(17)24)25-7-9-29-10-8-25/h4-6,11-14H,3,7-10H2,1-2H3
InChIKeyZPPYQWJDWZCIRY-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.14
Rot. Bonds4

About 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one

1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one (PubChem CID 20905220) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one
PubChem CID20905220
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC Name1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one
SMILESCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C22H23FN2O4S/c1-3-24-14-21(30(27,28)16-6-4-5-15(2)11-16)22(26)17-12-18(23)20(13-19(17)24)25-7-9-29-10-8-25/h4-6,11-14H,3,7-10H2,1-2H3
InChIKeyZPPYQWJDWZCIRY-UHFFFAOYSA-N
XLogP3.14
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one?
The IUPAC name of 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one (CID 20905220) is 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one.
What is the SMILES notation for 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one?
The canonical SMILES for 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one is CCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCOCC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one?
The InChIKey is ZPPYQWJDWZCIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c1-3-24-14-21(30(27,28)16-6-4-5-15(2)11-16)22(26)17-12-18(23)20(13-19(17)24)25-7-9-29-10-8-25/h4-6,11-14H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one?
1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one has a molecular weight of 430.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one is sourced from PubChem (CID 20905220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).