5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

C18H15ClFNO2 — CID 159763454

IUPAC5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCl.Fc1ccc(C=CC2=NCCc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C18H14FNO2.ClH/c19-14-4-1-12(2-5-14)3-6-16-15-10-18-17(21-11-22-18)9-13(15)7-8-20-16;/h1-6,9-10H,7-8,11H2;1H
InChIKeyNFERTQJCUBYZSS-UHFFFAOYSA-N
MW331.77 g/mol
LogP4.03
Rot. Bonds2

About 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (PubChem CID 159763454) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
PubChem CID159763454
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC Name5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCl.Fc1ccc(C=CC2=NCCc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C18H14FNO2.ClH/c19-14-4-1-12(2-5-14)3-6-16-15-10-18-17(21-11-22-18)9-13(15)7-8-20-16;/h1-6,9-10H,7-8,11H2;1H
InChIKeyNFERTQJCUBYZSS-UHFFFAOYSA-N
XLogP4.03
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride 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-[2-(4-fluorophenyl)ethenyl]-8-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 158516955
5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212263
5-[2-(4-fluorophenyl)ethenyl]-8-hexyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 91590643
5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 10954648
6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
CID 54003250
5-[(E)-4-(4-fluorophenyl)but-3-en-2-yl]-1,3-benzodioxole
CID 141413659
6-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
CID 139942473
6,7-dibutoxy-1-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-dihydroisoquinoline
CID 22158274
6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline;hydrochloride
CID 22158294
2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone
CID 7097255
7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 12557876
5-iodo-6-[(Z)-2-[4-[(Z)-2-(6-iodo-1,3-benzodioxol-5-yl)ethenyl]phenyl]ethenyl]-1,3-benzodioxole
CID 101198729

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The IUPAC name of 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (CID 159763454) is 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is Cl.Fc1ccc(C=CC2=NCCc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The InChIKey is NFERTQJCUBYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2.ClH/c19-14-4-1-12(2-5-14)3-6-16-15-10-18-17(21-11-22-18)9-13(15)7-8-20-16;/h1-6,9-10H,7-8,11H2;1H.
What are the key properties of 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is sourced from PubChem (CID 159763454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).