5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline

C19H14FN — CID 6539812

IUPAC5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline
SMILESFc1ccc2c(c1)CC/C2=C\c1cccc2cnccc12
InChIInChI=1S/C19H14FN/c20-17-6-7-18-14(4-5-15(18)11-17)10-13-2-1-3-16-12-21-9-8-19(13)16/h1-3,6-12H,4-5H2/b14-10+
InChIKeyRNIVQRPDPOQWHP-GXDHUFHOSA-N
MW275.33 g/mol
LogP4.86
Rot. Bonds1

About 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline

5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline (PubChem CID 6539812) has the molecular formula C19H14FN and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline.

Molecular Properties

Compound Name5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline
PubChem CID6539812
Molecular FormulaC19H14FN
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline
SMILESFc1ccc2c(c1)CC/C2=C\c1cccc2cnccc12
InChIInChI=1S/C19H14FN/c20-17-6-7-18-14(4-5-15(18)11-17)10-13-2-1-3-16-12-21-9-8-19(13)16/h1-3,6-12H,4-5H2/b14-10+
InChIKeyRNIVQRPDPOQWHP-GXDHUFHOSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline?
The IUPAC name of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline (CID 6539812) is 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline.
What is the SMILES notation for 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline?
The canonical SMILES for 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline is Fc1ccc2c(c1)CC/C2=C\c1cccc2cnccc12.
What is the InChIKey of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline?
The InChIKey is RNIVQRPDPOQWHP-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H14FN/c20-17-6-7-18-14(4-5-15(18)11-17)10-13-2-1-3-16-12-21-9-8-19(13)16/h1-3,6-12H,4-5H2/b14-10+.
What are the key properties of 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline?
5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline has a molecular weight of 275.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]isoquinoline is sourced from PubChem (CID 6539812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).