4-[(3-fluorophenyl)methyl]isoquinoline

C16H12FN — CID 15082834

IUPAC4-[(3-fluorophenyl)methyl]isoquinoline
SMILESFc1cccc(Cc2cncc3ccccc23)c1
InChIInChI=1S/C16H12FN/c17-15-6-3-4-12(9-15)8-14-11-18-10-13-5-1-2-7-16(13)14/h1-7,9-11H,8H2
InChIKeyZXDSEPUXVJLRRX-UHFFFAOYSA-N
MW237.28 g/mol
LogP3.96
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]isoquinoline

4-[(3-fluorophenyl)methyl]isoquinoline (PubChem CID 15082834) has the molecular formula C16H12FN and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]isoquinoline.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]isoquinoline
PubChem CID15082834
Molecular FormulaC16H12FN
Molecular Weight237.28 g/mol
Exact Mass237.10
IUPAC Name4-[(3-fluorophenyl)methyl]isoquinoline
SMILESFc1cccc(Cc2cncc3ccccc23)c1
InChIInChI=1S/C16H12FN/c17-15-6-3-4-12(9-15)8-14-11-18-10-13-5-1-2-7-16(13)14/h1-7,9-11H,8H2
InChIKeyZXDSEPUXVJLRRX-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748158
2-[4-[(3-fluorophenyl)methyl]isoquinolin-3-yl]acetaldehyde
CID 87324404
4-benzylbenzo[h]isoquinoline
CID 146445441
isoquinolin-4-ylmethanethiol
CID 104505444
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
N-[3-amino-2-[(3-fluorophenyl)methyl]-4-pyridinyl]isoquinoline-4-carboxamide
CID 140660102
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
methyl 4-[(3-fluorophenyl)methyl]isoquinoline-3-carboxylate
CID 67248979
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
4-(chloromethyl)isoquinoline;hydrochloride
CID 12746379
4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
6-fluoro-3-[(3-fluorophenyl)methyl]-1,2-diphenylnaphthalene
CID 163363207

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]isoquinoline?
The IUPAC name of 4-[(3-fluorophenyl)methyl]isoquinoline (CID 15082834) is 4-[(3-fluorophenyl)methyl]isoquinoline.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]isoquinoline?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]isoquinoline is Fc1cccc(Cc2cncc3ccccc23)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]isoquinoline?
The InChIKey is ZXDSEPUXVJLRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN/c17-15-6-3-4-12(9-15)8-14-11-18-10-13-5-1-2-7-16(13)14/h1-7,9-11H,8H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]isoquinoline?
4-[(3-fluorophenyl)methyl]isoquinoline has a molecular weight of 237.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]isoquinoline is sourced from PubChem (CID 15082834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).