8-[(6-fluoroindol-1-yl)methyl]quinoline

C18H13FN2 — CID 116620052

IUPAC8-[(6-fluoroindol-1-yl)methyl]quinoline
SMILESFc1ccc2ccn(Cc3cccc4cccnc34)c2c1
InChIInChI=1S/C18H13FN2/c19-16-7-6-13-8-10-21(17(13)11-16)12-15-4-1-3-14-5-2-9-20-18(14)15/h1-11H,12H2
InChIKeyDKJDHZGQNLELAJ-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.38
Rot. Bonds2

About 8-[(6-fluoroindol-1-yl)methyl]quinoline

8-[(6-fluoroindol-1-yl)methyl]quinoline (PubChem CID 116620052) has the molecular formula C18H13FN2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 8-[(6-fluoroindol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(6-fluoroindol-1-yl)methyl]quinoline
PubChem CID116620052
Molecular FormulaC18H13FN2
Molecular Weight276.31 g/mol
Exact Mass276.11
IUPAC Name8-[(6-fluoroindol-1-yl)methyl]quinoline
SMILESFc1ccc2ccn(Cc3cccc4cccnc34)c2c1
InChIInChI=1S/C18H13FN2/c19-16-7-6-13-8-10-21(17(13)11-16)12-15-4-1-3-14-5-2-9-20-18(14)15/h1-11H,12H2
InChIKeyDKJDHZGQNLELAJ-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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Related Compounds

4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
5-fluoro-1-(pyridin-2-ylmethyl)indole
CID 55257545
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675

Frequently Asked Questions

What is the IUPAC name of 8-[(6-fluoroindol-1-yl)methyl]quinoline?
The IUPAC name of 8-[(6-fluoroindol-1-yl)methyl]quinoline (CID 116620052) is 8-[(6-fluoroindol-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(6-fluoroindol-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(6-fluoroindol-1-yl)methyl]quinoline is Fc1ccc2ccn(Cc3cccc4cccnc34)c2c1.
What is the InChIKey of 8-[(6-fluoroindol-1-yl)methyl]quinoline?
The InChIKey is DKJDHZGQNLELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2/c19-16-7-6-13-8-10-21(17(13)11-16)12-15-4-1-3-14-5-2-9-20-18(14)15/h1-11H,12H2.
What are the key properties of 8-[(6-fluoroindol-1-yl)methyl]quinoline?
8-[(6-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 8-[(6-fluoroindol-1-yl)methyl]quinoline is sourced from PubChem (CID 116620052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).