1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline

C29H28FNO — CID 170219842

IUPAC1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline
SMILESCc1cc(-c2nccc3cc(CC(C)C)ccc23)c2oc3cc(C(C)C)c(F)cc3c2c1
InChIInChI=1S/C29H28FNO/c1-16(2)10-19-6-7-21-20(13-19)8-9-31-28(21)25-12-18(5)11-24-23-14-26(30)22(17(3)4)15-27(23)32-29(24)25/h6-9,11-17H,10H2,1-5H3
InChIKeyIEJHCHAEPDQNQF-UHFFFAOYSA-N
MW425.55 g/mol
LogP8.57
Rot. Bonds4

About 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline

1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline (PubChem CID 170219842) has the molecular formula C29H28FNO and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline.

Molecular Properties

Compound Name1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline
PubChem CID170219842
Molecular FormulaC29H28FNO
Molecular Weight425.55 g/mol
Exact Mass425.22
IUPAC Name1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline
SMILESCc1cc(-c2nccc3cc(CC(C)C)ccc23)c2oc3cc(C(C)C)c(F)cc3c2c1
InChIInChI=1S/C29H28FNO/c1-16(2)10-19-6-7-21-20(13-19)8-9-31-28(21)25-12-18(5)11-24-23-14-26(30)22(17(3)4)15-27(23)32-29(24)25/h6-9,11-17H,10H2,1-5H3
InChIKeyIEJHCHAEPDQNQF-UHFFFAOYSA-N
XLogP8.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)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

1-(3,5-dimethyl-2-propan-2-yl-1-benzofuran-7-yl)-6-(2-methylpropyl)isoquinoline
CID 167258911
1-(1-fluoro-2,7-dimethyldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline
CID 169033840
6-(2-methylpropyl)-1-(2,3,5-trimethylphenyl)isoquinoline
CID 147107503
1-(8-tert-butyl-7-fluoro-2-methyldibenzofuran-4-yl)-6-methylisoquinoline
CID 169033827
1-(3,5-dimethyl-2-propan-2-yl-1-benzofuran-7-yl)-6-(2,2-dimethylpropyl)isoquinoline
CID 167258916
7-(7-fluoro-2,8-dimethyldibenzofuran-4-yl)-2-[4-(2-methylpropyl)phenyl]-3-(trifluoromethyl)thieno[2,3-c]pyridine
CID 170219928
7-fluoro-1-(2-methyldibenzofuran-4-yl)-5-propan-2-ylisoquinoline
CID 170683675
6-(2,2-dimethylpropyl)-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683685
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046
5-fluoro-1-(2-methyldibenzofuran-4-yl)-4-propan-2-ylisoquinoline
CID 170683645
6-tert-butyl-1-(2,3,5-trimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258293
6-(2,2-dimethylpropyl)-1-(4-fluoro-2,5-dimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258518

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline?
The IUPAC name of 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline (CID 170219842) is 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline.
What is the SMILES notation for 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline?
The canonical SMILES for 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline is Cc1cc(-c2nccc3cc(CC(C)C)ccc23)c2oc3cc(C(C)C)c(F)cc3c2c1.
What is the InChIKey of 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline?
The InChIKey is IEJHCHAEPDQNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO/c1-16(2)10-19-6-7-21-20(13-19)8-9-31-28(21)25-12-18(5)11-24-23-14-26(30)22(17(3)4)15-27(23)32-29(24)25/h6-9,11-17H,10H2,1-5H3.
What are the key properties of 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline?
1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline has a molecular weight of 425.55 g/mol, XLogP of 8.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-methyl-7-propan-2-yldibenzofuran-4-yl)-6-(2-methylpropyl)isoquinoline is sourced from PubChem (CID 170219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).