4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline

C19H14FN — CID 68961822

IUPAC4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline
SMILESFc1ccc2c(c1)CCC2=Cc1ccnc2ccccc12
InChIInChI=1S/C19H14FN/c20-16-7-8-17-13(5-6-14(17)12-16)11-15-9-10-21-19-4-2-1-3-18(15)19/h1-4,7-12H,5-6H2
InChIKeyAUUSWOKRVZVKTK-UHFFFAOYSA-N
MW275.33 g/mol
LogP4.86
Rot. Bonds1

About 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline

4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline (PubChem CID 68961822) has the molecular formula C19H14FN and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline.

Molecular Properties

Compound Name4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline
PubChem CID68961822
Molecular FormulaC19H14FN
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline
SMILESFc1ccc2c(c1)CCC2=Cc1ccnc2ccccc12
InChIInChI=1S/C19H14FN/c20-16-7-8-17-13(5-6-14(17)12-16)11-15-9-10-21-19-4-2-1-3-18(15)19/h1-4,7-12H,5-6H2
InChIKeyAUUSWOKRVZVKTK-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline?
The IUPAC name of 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline (CID 68961822) is 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline.
What is the SMILES notation for 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline?
The canonical SMILES for 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline is Fc1ccc2c(c1)CCC2=Cc1ccnc2ccccc12.
What is the InChIKey of 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline?
The InChIKey is AUUSWOKRVZVKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN/c20-16-7-8-17-13(5-6-14(17)12-16)11-15-9-10-21-19-4-2-1-3-18(15)19/h1-4,7-12H,5-6H2.
What are the key properties of 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline?
4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline 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 4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline is sourced from PubChem (CID 68961822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).