[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone

C20H17F2N3OS — CID 53001564

IUPAC[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1Nc1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C20H17F2N3OS/c21-13-2-1-3-15(10-13)24-19-16-11-14(22)4-5-18(16)23-12-17(19)20(26)25-6-8-27-9-7-25/h1-5,10-12H,6-9H2,(H,23,24)
InChIKeyQGCUWDMKFVRHHX-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.45
Rot. Bonds3

About [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone

[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 53001564) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID53001564
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1Nc1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C20H17F2N3OS/c21-13-2-1-3-15(10-13)24-19-16-11-14(22)4-5-18(16)23-12-17(19)20(26)25-6-8-27-9-7-25/h1-5,10-12H,6-9H2,(H,23,24)
InChIKeyQGCUWDMKFVRHHX-UHFFFAOYSA-N
XLogP4.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
[6-chloro-4-(3,4-dichloroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53052673
[4-[(3-bromophenyl)methylamino]-6-fluoroquinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 71825043
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063995
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[6-chloro-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032710
[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001611
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
4-[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]sulfonylbenzonitrile
CID 46274940
[6-chloro-4-(2,4-dimethoxyanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53335880

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone (CID 53001564) is [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone is O=C(c1cnc2ccc(F)cc2c1Nc1cccc(F)c1)N1CCSCC1.
What is the InChIKey of [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is QGCUWDMKFVRHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c21-13-2-1-3-15(10-13)24-19-16-11-14(22)4-5-18(16)23-12-17(19)20(26)25-6-8-27-9-7-25/h1-5,10-12H,6-9H2,(H,23,24).
What are the key properties of [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone?
[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 385.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 53001564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).