2-[(4-fluoroindol-1-yl)methyl]quinoline

C18H13FN2 — CID 82782071

IUPAC2-[(4-fluoroindol-1-yl)methyl]quinoline
SMILESFc1cccc2c1ccn2Cc1ccc2ccccc2n1
InChIInChI=1S/C18H13FN2/c19-16-5-3-7-18-15(16)10-11-21(18)12-14-9-8-13-4-1-2-6-17(13)20-14/h1-11H,12H2
InChIKeyMDEKYKUXXLGTDK-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.38
Rot. Bonds2

About 2-[(4-fluoroindol-1-yl)methyl]quinoline

2-[(4-fluoroindol-1-yl)methyl]quinoline (PubChem CID 82782071) has the molecular formula C18H13FN2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(4-fluoroindol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(4-fluoroindol-1-yl)methyl]quinoline
PubChem CID82782071
Molecular FormulaC18H13FN2
Molecular Weight276.31 g/mol
Exact Mass276.11
IUPAC Name2-[(4-fluoroindol-1-yl)methyl]quinoline
SMILESFc1cccc2c1ccn2Cc1ccc2ccccc2n1
InChIInChI=1S/C18H13FN2/c19-16-5-3-7-18-15(16)10-11-21(18)12-14-9-8-13-4-1-2-6-17(13)20-14/h1-11H,12H2
InChIKeyMDEKYKUXXLGTDK-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoroindol-1-yl)methyl]quinoline?
The IUPAC name of 2-[(4-fluoroindol-1-yl)methyl]quinoline (CID 82782071) is 2-[(4-fluoroindol-1-yl)methyl]quinoline.
What is the SMILES notation for 2-[(4-fluoroindol-1-yl)methyl]quinoline?
The canonical SMILES for 2-[(4-fluoroindol-1-yl)methyl]quinoline is Fc1cccc2c1ccn2Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[(4-fluoroindol-1-yl)methyl]quinoline?
The InChIKey is MDEKYKUXXLGTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2/c19-16-5-3-7-18-15(16)10-11-21(18)12-14-9-8-13-4-1-2-6-17(13)20-14/h1-11H,12H2.
What are the key properties of 2-[(4-fluoroindol-1-yl)methyl]quinoline?
2-[(4-fluoroindol-1-yl)methyl]quinoline has a molecular weight of 276.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoroindol-1-yl)methyl]quinoline is sourced from PubChem (CID 82782071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).