6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine

C19H18FN3O2S — CID 39850740

IUPAC6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ccnc3ccc(F)cc23)cc1)N1CCCC1
InChIInChI=1S/C19H18FN3O2S/c20-14-3-8-18-17(13-14)19(9-10-21-18)22-15-4-6-16(7-5-15)26(24,25)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22)
InChIKeyHJTODWAGWFSHOW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.90
Rot. Bonds4

About 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine

6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine (PubChem CID 39850740) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
PubChem CID39850740
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ccnc3ccc(F)cc23)cc1)N1CCCC1
InChIInChI=1S/C19H18FN3O2S/c20-14-3-8-18-17(13-14)19(9-10-21-18)22-15-4-6-16(7-5-15)26(24,25)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22)
InChIKeyHJTODWAGWFSHOW-UHFFFAOYSA-N
XLogP3.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine?
The IUPAC name of 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine (CID 39850740) is 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine?
The canonical SMILES for 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine is O=S(=O)(c1ccc(Nc2ccnc3ccc(F)cc23)cc1)N1CCCC1.
What is the InChIKey of 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine?
The InChIKey is HJTODWAGWFSHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-14-3-8-18-17(13-14)19(9-10-21-18)22-15-4-6-16(7-5-15)26(24,25)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22).
What are the key properties of 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine?
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine is sourced from PubChem (CID 39850740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).