6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C25H19FN2O2S — CID 50776716

IUPAC6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCc1ccco1)c1sc2c(cnc3c(F)cccc32)c1-c1ccccc1
InChIInChI=1S/C25H19FN2O2S/c26-20-12-4-11-18-22(20)28-15-19-21(16-7-2-1-3-8-16)24(31-23(18)19)25(29)27-13-5-9-17-10-6-14-30-17/h1-4,6-8,10-12,14-15H,5,9,13H2,(H,27,29)
InChIKeyHKQRLGJEFILKFF-UHFFFAOYSA-N
MW430.50 g/mol
LogP6.21
Rot. Bonds6

About 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide

6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776716) has the molecular formula C25H19FN2O2S and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776716
Molecular FormulaC25H19FN2O2S
Molecular Weight430.50 g/mol
Exact Mass430.12
IUPAC Name6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCc1ccco1)c1sc2c(cnc3c(F)cccc32)c1-c1ccccc1
InChIInChI=1S/C25H19FN2O2S/c26-20-12-4-11-18-22(20)28-15-19-21(16-7-2-1-3-8-16)24(31-23(18)19)25(29)27-13-5-9-17-10-6-14-30-17/h1-4,6-8,10-12,14-15H,5,9,13H2,(H,27,29)
InChIKeyHKQRLGJEFILKFF-UHFFFAOYSA-N
XLogP6.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 50776716) is 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is O=C(NCCCc1ccco1)c1sc2c(cnc3c(F)cccc32)c1-c1ccccc1.
What is the InChIKey of 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is HKQRLGJEFILKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2S/c26-20-12-4-11-18-22(20)28-15-19-21(16-7-2-1-3-8-16)24(31-23(18)19)25(29)27-13-5-9-17-10-6-14-30-17/h1-4,6-8,10-12,14-15H,5,9,13H2,(H,27,29).
What are the key properties of 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).