N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide

C25H24FN3O4S — CID 118093993

IUPACN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(-c3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H24FN3O4S/c1-14-24(15(2)33-28-14)17-11-22-21(23(12-17)34(31,32)29-19-5-3-4-6-19)13-20(25(30)27-22)16-7-9-18(26)10-8-16/h7-13,19,29H,3-6H2,1-2H3,(H,27,30)
InChIKeyUKTDCJYTNPGBFQ-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.83
Rot. Bonds5

About N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide

N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide (PubChem CID 118093993) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
PubChem CID118093993
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(-c3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H24FN3O4S/c1-14-24(15(2)33-28-14)17-11-22-21(23(12-17)34(31,32)29-19-5-3-4-6-19)13-20(25(30)27-22)16-7-9-18(26)10-8-16/h7-13,19,29H,3-6H2,1-2H3,(H,27,30)
InChIKeyUKTDCJYTNPGBFQ-UHFFFAOYSA-N
XLogP4.83
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide?
The IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide (CID 118093993) is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide is Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2cc(-c3ccc(F)cc3)c(=O)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide?
The InChIKey is UKTDCJYTNPGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-14-24(15(2)33-28-14)17-11-22-21(23(12-17)34(31,32)29-19-5-3-4-6-19)13-20(25(30)27-22)16-7-9-18(26)10-8-16/h7-13,19,29H,3-6H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide?
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide has a molecular weight of 481.55 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide is sourced from PubChem (CID 118093993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).