N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide

C21H20FN3O4S — CID 24653400

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H20FN3O4S/c22-18-7-6-17(14-19(18)30(27,28)25-9-11-29-12-10-25)24-20(26)13-16-4-1-3-15-5-2-8-23-21(15)16/h1-8,14H,9-13H2,(H,24,26)
InChIKeyIUGOJFIZQWUYNR-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.58
Rot. Bonds5

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide (PubChem CID 24653400) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
PubChem CID24653400
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H20FN3O4S/c22-18-7-6-17(14-19(18)30(27,28)25-9-11-29-12-10-25)24-20(26)13-16-4-1-3-15-5-2-8-23-21(15)16/h1-8,14H,9-13H2,(H,24,26)
InChIKeyIUGOJFIZQWUYNR-UHFFFAOYSA-N
XLogP2.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide (CID 24653400) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
The InChIKey is IUGOJFIZQWUYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c22-18-7-6-17(14-19(18)30(27,28)25-9-11-29-12-10-25)24-20(26)13-16-4-1-3-15-5-2-8-23-21(15)16/h1-8,14H,9-13H2,(H,24,26).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide has a molecular weight of 429.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylacetamide is sourced from PubChem (CID 24653400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).