8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C21H17FN2O2S — CID 94073785

IUPAC8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESC[C@@H](O)CNC(=O)c1sc2c(cnc3ccc(F)cc32)c1-c1ccccc1
InChIInChI=1S/C21H17FN2O2S/c1-12(25)10-24-21(26)20-18(13-5-3-2-4-6-13)16-11-23-17-8-7-14(22)9-15(17)19(16)27-20/h2-9,11-12,25H,10H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyRHEWDZPLXPTHMT-GFCCVEGCSA-N
MW380.44 g/mol
LogP4.37
Rot. Bonds4

About 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide

8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 94073785) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID94073785
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESC[C@@H](O)CNC(=O)c1sc2c(cnc3ccc(F)cc32)c1-c1ccccc1
InChIInChI=1S/C21H17FN2O2S/c1-12(25)10-24-21(26)20-18(13-5-3-2-4-6-13)16-11-23-17-8-7-14(22)9-15(17)19(16)27-20/h2-9,11-12,25H,10H2,1H3,(H,24,26)/t12-/m1/s1
InChIKeyRHEWDZPLXPTHMT-GFCCVEGCSA-N
XLogP4.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 94073785) is 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is C[C@@H](O)CNC(=O)c1sc2c(cnc3ccc(F)cc32)c1-c1ccccc1.
What is the InChIKey of 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is RHEWDZPLXPTHMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-12(25)10-24-21(26)20-18(13-5-3-2-4-6-13)16-11-23-17-8-7-14(22)9-15(17)19(16)27-20/h2-9,11-12,25H,10H2,1H3,(H,24,26)/t12-/m1/s1.
What are the key properties of 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 94073785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).