7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline

C25H20FNO — CID 170683675

IUPAC7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline
SMILESCc1cc(-c2nccc3c(C(C)C)cc(F)cc23)c2oc3ccccc3c2c1
InChIInChI=1S/C25H20FNO/c1-14(2)19-12-16(26)13-20-17(19)8-9-27-24(20)22-11-15(3)10-21-18-6-4-5-7-23(18)28-25(21)22/h4-14H,1-3H3
InChIKeyKGASXOXDWWHKLF-UHFFFAOYSA-N
MW369.44 g/mol
LogP7.37
Rot. Bonds2

About 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline

7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline (PubChem CID 170683675) has the molecular formula C25H20FNO and a molecular weight of 369.44 g/mol. Its IUPAC name is 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline.

Molecular Properties

Compound Name7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline
PubChem CID170683675
Molecular FormulaC25H20FNO
Molecular Weight369.44 g/mol
Exact Mass369.15
IUPAC Name7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline
SMILESCc1cc(-c2nccc3c(C(C)C)cc(F)cc23)c2oc3ccccc3c2c1
InChIInChI=1S/C25H20FNO/c1-14(2)19-12-16(26)13-20-17(19)8-9-27-24(20)22-11-15(3)10-21-18-6-4-5-7-23(18)28-25(21)22/h4-14H,1-3H3
InChIKeyKGASXOXDWWHKLF-UHFFFAOYSA-N
XLogP7.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-(2-methyldibenzofuran-4-yl)-4-propan-2-ylisoquinoline
CID 170683645
6-(2,2-dimethylpropyl)-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683685
4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683606
1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline
CID 170219842
6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline
CID 162494248
5-cyclohexyl-4-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683640
7-isocyano-4-(2-methyldibenzofuran-4-yl)quinazoline
CID 157423361
2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
CID 170047501
4-(4-iodophenyl)-2-methyldibenzofuran
CID 161298948
2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 156686701
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline?
The IUPAC name of 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline (CID 170683675) is 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline.
What is the SMILES notation for 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline?
The canonical SMILES for 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline is Cc1cc(-c2nccc3c(C(C)C)cc(F)cc23)c2oc3ccccc3c2c1.
What is the InChIKey of 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline?
The InChIKey is KGASXOXDWWHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO/c1-14(2)19-12-16(26)13-20-17(19)8-9-27-24(20)22-11-15(3)10-21-18-6-4-5-7-23(18)28-25(21)22/h4-14H,1-3H3.
What are the key properties of 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline?
7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline has a molecular weight of 369.44 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline is sourced from PubChem (CID 170683675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).