7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline

C20H24ClNO3 — CID 67605120

IUPAC7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCN2CCc3ccc(Cl)cc3C2)c(OC)c1OC
InChIInChI=1S/C20H24ClNO3/c1-23-18-7-5-15(19(24-2)20(18)25-3)9-11-22-10-8-14-4-6-17(21)12-16(14)13-22/h4-7,12H,8-11,13H2,1-3H3
InChIKeyBJFVGNGNQVTEPE-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.97
Rot. Bonds6

About 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline

7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 67605120) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID67605120
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCN2CCc3ccc(Cl)cc3C2)c(OC)c1OC
InChIInChI=1S/C20H24ClNO3/c1-23-18-7-5-15(19(24-2)20(18)25-3)9-11-22-10-8-14-4-6-17(21)12-16(14)13-22/h4-7,12H,8-11,13H2,1-3H3
InChIKeyBJFVGNGNQVTEPE-UHFFFAOYSA-N
XLogP3.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-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-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 90477466
2-(5-chloro-2-methoxyphenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 87008728
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 60585239
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279846
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 27197013
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
5-[(2,3,4-trimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 13341656
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline (CID 67605120) is 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(CCN2CCc3ccc(Cl)cc3C2)c(OC)c1OC.
What is the InChIKey of 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is BJFVGNGNQVTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-23-18-7-5-15(19(24-2)20(18)25-3)9-11-22-10-8-14-4-6-17(21)12-16(14)13-22/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 361.87 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 67605120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).