4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline

C28H24FNO — CID 170683606

IUPAC4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
SMILESCc1cc(-c2ncc(C3CCCCC3)c3ccc(F)cc23)c2oc3ccccc3c2c1
InChIInChI=1S/C28H24FNO/c1-17-13-23-21-9-5-6-10-26(21)31-28(23)24(14-17)27-22-15-19(29)11-12-20(22)25(16-30-27)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyVZDODFBRLRXZHF-UHFFFAOYSA-N
MW409.50 g/mol
LogP8.30
Rot. Bonds2

About 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline

4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline (PubChem CID 170683606) has the molecular formula C28H24FNO and a molecular weight of 409.50 g/mol. Its IUPAC name is 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline.

Molecular Properties

Compound Name4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
PubChem CID170683606
Molecular FormulaC28H24FNO
Molecular Weight409.50 g/mol
Exact Mass409.18
IUPAC Name4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
SMILESCc1cc(-c2ncc(C3CCCCC3)c3ccc(F)cc23)c2oc3ccccc3c2c1
InChIInChI=1S/C28H24FNO/c1-17-13-23-21-9-5-6-10-26(21)31-28(23)24(14-17)27-22-15-19(29)11-12-20(22)25(16-30-27)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyVZDODFBRLRXZHF-UHFFFAOYSA-N
XLogP8.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)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

5-cyclohexyl-4-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683640
4-cyclopentyl-5-fluoro-1-(2-propan-2-yldibenzofuran-4-yl)isoquinoline
CID 170683602
5-fluoro-1-(2-methyldibenzofuran-4-yl)-4-propan-2-ylisoquinoline
CID 170683645
7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline
CID 170683675
3-cyclopentyl-7-fluoro-1-(2-propan-2-yldibenzofuran-4-yl)isoquinoline
CID 170683726
8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 169055491
6-fluoro-2-(2-methyldibenzofuran-4-yl)-4-(2-methylpropyl)quinoline
CID 162494248
7-isocyano-4-(2-methyldibenzofuran-4-yl)quinazoline
CID 157423361
6-(2,2-dimethylpropyl)-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683685
6-fluoro-3-(oxan-4-yl)-1-(2-propan-2-yldibenzofuran-4-yl)isoquinoline
CID 170683609
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046
3,8-dicyclohexyl-1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
CID 118333169

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline?
The IUPAC name of 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline (CID 170683606) is 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline.
What is the SMILES notation for 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline?
The canonical SMILES for 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline is Cc1cc(-c2ncc(C3CCCCC3)c3ccc(F)cc23)c2oc3ccccc3c2c1.
What is the InChIKey of 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline?
The InChIKey is VZDODFBRLRXZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO/c1-17-13-23-21-9-5-6-10-26(21)31-28(23)24(14-17)27-22-15-19(29)11-12-20(22)25(16-30-27)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3.
What are the key properties of 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline?
4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline has a molecular weight of 409.50 g/mol, XLogP of 8.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline is sourced from PubChem (CID 170683606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).