2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline

C20H21NO3 — CID 16638258

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
SMILESCOc1ccc2ccc(CCc3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C20H21NO3/c1-22-17-10-7-15-6-9-16(21-18(15)13-17)8-4-14-5-11-19(23-2)20(12-14)24-3/h5-7,9-13H,4,8H2,1-3H3
InChIKeyXGAQBTRHPFHCII-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.05
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline

2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline (PubChem CID 16638258) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
PubChem CID16638258
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
SMILESCOc1ccc2ccc(CCc3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C20H21NO3/c1-22-17-10-7-15-6-9-16(21-18(15)13-17)8-4-14-5-11-19(23-2)20(12-14)24-3/h5-7,9-13H,4,8H2,1-3H3
InChIKeyXGAQBTRHPFHCII-UHFFFAOYSA-N
XLogP4.05
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline 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-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
2-(6,7-dimethoxyquinolin-2-yl)ethanol
CID 91665827
1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
CID 3240582
3-(6-methoxyquinolin-2-yl)-N,N-dimethylpropan-1-amine
CID 23204412
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline (CID 16638258) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline is COc1ccc2ccc(CCc3ccc(OC)c(OC)c3)nc2c1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline?
The InChIKey is XGAQBTRHPFHCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-22-17-10-7-15-6-9-16(21-18(15)13-17)8-4-14-5-11-19(23-2)20(12-14)24-3/h5-7,9-13H,4,8H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline?
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline has a molecular weight of 323.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline is sourced from PubChem (CID 16638258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).