[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

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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).