fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline

C28H22F2N2O — CID 174697852

About fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline

fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline (PubChem CID 174697852) has the molecular formula C28H22F2N2O and a molecular weight of 440.49 g/mol. Its IUPAC name is fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline.

Molecular Properties

• Compound Name: fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline
• PubChem CID: 174697852
• Molecular Formula: C28H22F2N2O
• Molecular Weight: 440.49 g/mol
• Exact Mass: 440.17
• IUPAC Name: fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline
• SMILES: Fc1ccc2c(c1)CCCN2c1cc2ccccc2nc1-c1ccco1.Fc1ccccc1
• InChI: InChI=1S/C22H17FN2O.C6H5F/c23-17-9-10-19-16(13-17)6-3-11-25(19)20-14-15-5-1-2-7-18(15)24-22(20)21-8-4-12-26-21;7-6-4-2-1-3-5-6/h1-2,4-5,7-10,12-14H,3,6,11H2;1-5H
• InChIKey: PRFPMBXGAXKKKY-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 29.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.49
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline?

The IUPAC name of fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline (CID 174697852) is fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline.

What is the SMILES notation for fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline?

The canonical SMILES for fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline is Fc1ccc2c(c1)CCCN2c1cc2ccccc2nc1-c1ccco1.Fc1ccccc1.

What is the InChIKey of fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline?

The InChIKey is PRFPMBXGAXKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O.C6H5F/c23-17-9-10-19-16(13-17)6-3-11-25(19)20-14-15-5-1-2-7-18(15)24-22(20)21-8-4-12-26-21;7-6-4-2-1-3-5-6/h1-2,4-5,7-10,12-14H,3,6,11H2;1-5H.

What are the key properties of fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline?

fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline has a molecular weight of 440.49 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for fluorobenzene;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(furan-2-yl)quinoline is sourced from PubChem (CID 174697852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).