5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one

C24H28FNO6S — CID 58492443

IUPAC5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCS(=O)(=O)CCCO)c12
InChIInChI=1S/C24H28FNO6S/c1-3-13-32-21-10-9-20(25)22-23(21)26(11-15-33(29,30)14-4-12-27)16-19(24(22)28)17-5-7-18(31-2)8-6-17/h5-10,16,27H,3-4,11-15H2,1-2H3
InChIKeySXDZQDZPVYKDCD-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.40
Rot. Bonds11

About 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one

5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one (PubChem CID 58492443) has the molecular formula C24H28FNO6S and a molecular weight of 477.55 g/mol. Its IUPAC name is 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one.

Molecular Properties

Compound Name5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
PubChem CID58492443
Molecular FormulaC24H28FNO6S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC Name5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCS(=O)(=O)CCCO)c12
InChIInChI=1S/C24H28FNO6S/c1-3-13-32-21-10-9-20(25)22-23(21)26(11-15-33(29,30)14-4-12-27)16-19(24(22)28)17-5-7-18(31-2)8-6-17/h5-10,16,27H,3-4,11-15H2,1-2H3
InChIKeySXDZQDZPVYKDCD-UHFFFAOYSA-N
XLogP3.40
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
The IUPAC name of 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one (CID 58492443) is 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one.
What is the SMILES notation for 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
The canonical SMILES for 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCS(=O)(=O)CCCO)c12.
What is the InChIKey of 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
The InChIKey is SXDZQDZPVYKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO6S/c1-3-13-32-21-10-9-20(25)22-23(21)26(11-15-33(29,30)14-4-12-27)16-19(24(22)28)17-5-7-18(31-2)8-6-17/h5-10,16,27H,3-4,11-15H2,1-2H3.
What are the key properties of 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one?
5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one has a molecular weight of 477.55 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-(3-hydroxypropylsulfonyl)ethyl]-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one is sourced from PubChem (CID 58492443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).