3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine

C20H26F2N2 — CID 143711856

IUPAC3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine
SMILESC=C/C(F)=C(CC1=CNC2=NCC(C)(CCC)C=C2C1)\C(F)=C/C
InChIInChI=1S/C20H26F2N2/c1-5-8-20(4)11-15-9-14(12-23-19(15)24-13-20)10-16(17(21)6-2)18(22)7-3/h6-7,11-12H,2,5,8-10,13H2,1,3-4H3,(H,23,24)/b17-16+,18-7+
InChIKeyXYWYGZLMFARCBC-BQPUQGDLSA-N
MW332.44 g/mol
LogP5.68
Rot. Bonds6

About 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine

3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine (PubChem CID 143711856) has the molecular formula C20H26F2N2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine
PubChem CID143711856
Molecular FormulaC20H26F2N2
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine
SMILESC=C/C(F)=C(CC1=CNC2=NCC(C)(CCC)C=C2C1)\C(F)=C/C
InChIInChI=1S/C20H26F2N2/c1-5-8-20(4)11-15-9-14(12-23-19(15)24-13-20)10-16(17(21)6-2)18(22)7-3/h6-7,11-12H,2,5,8-10,13H2,1,3-4H3,(H,23,24)/b17-16+,18-7+
InChIKeyXYWYGZLMFARCBC-BQPUQGDLSA-N
XLogP5.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine (CID 143711856) is 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine is C=C/C(F)=C(CC1=CNC2=NCC(C)(CCC)C=C2C1)\C(F)=C/C.
What is the InChIKey of 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine?
The InChIKey is XYWYGZLMFARCBC-BQPUQGDLSA-N. The full InChI is InChI=1S/C20H26F2N2/c1-5-8-20(4)11-15-9-14(12-23-19(15)24-13-20)10-16(17(21)6-2)18(22)7-3/h6-7,11-12H,2,5,8-10,13H2,1,3-4H3,(H,23,24)/b17-16+,18-7+.
What are the key properties of 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine?
3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine has a molecular weight of 332.44 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-3-fluoro-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-6-methyl-6-propyl-4,7-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 143711856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).