5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline

C24H20FNO — CID 46935829

IUPAC5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline
SMILESCc1cc(F)ccc1-c1c(C)cccc1COc1cccc2cnccc12
InChIInChI=1S/C24H20FNO/c1-16-5-3-7-19(24(16)21-10-9-20(25)13-17(21)2)15-27-23-8-4-6-18-14-26-12-11-22(18)23/h3-14H,15H2,1-2H3
InChIKeyOUUQSKYBXJYLAC-UHFFFAOYSA-N
MW357.43 g/mol
LogP6.24
Rot. Bonds4

About 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline

5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline (PubChem CID 46935829) has the molecular formula C24H20FNO and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline.

Molecular Properties

Compound Name5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline
PubChem CID46935829
Molecular FormulaC24H20FNO
Molecular Weight357.43 g/mol
Exact Mass357.15
IUPAC Name5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline
SMILESCc1cc(F)ccc1-c1c(C)cccc1COc1cccc2cnccc12
InChIInChI=1S/C24H20FNO/c1-16-5-3-7-19(24(16)21-10-9-20(25)13-17(21)2)15-27-23-8-4-6-18-14-26-12-11-22(18)23/h3-14H,15H2,1-2H3
InChIKeyOUUQSKYBXJYLAC-UHFFFAOYSA-N
XLogP6.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline?
The IUPAC name of 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline (CID 46935829) is 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline.
What is the SMILES notation for 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline?
The canonical SMILES for 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline is Cc1cc(F)ccc1-c1c(C)cccc1COc1cccc2cnccc12.
What is the InChIKey of 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline?
The InChIKey is OUUQSKYBXJYLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO/c1-16-5-3-7-19(24(16)21-10-9-20(25)13-17(21)2)15-27-23-8-4-6-18-14-26-12-11-22(18)23/h3-14H,15H2,1-2H3.
What are the key properties of 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline?
5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline has a molecular weight of 357.43 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluoro-2-methylphenyl)-3-methylphenyl]methoxy]isoquinoline is sourced from PubChem (CID 46935829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).