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

C20H22ClNO3 — CID 16637848

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
SMILESCOc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC.Cl
InChIInChI=1S/C20H21NO3.ClH/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15;/h4-7,9,11-13H,8,10H2,1-3H3;1H
InChIKeyLZWOWJFTYQZUEN-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.47
Rot. Bonds6

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

2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride (PubChem CID 16637848) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
PubChem CID16637848
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
SMILESCOc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC.Cl
InChIInChI=1S/C20H21NO3.ClH/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15;/h4-7,9,11-13H,8,10H2,1-3H3;1H
InChIKeyLZWOWJFTYQZUEN-UHFFFAOYSA-N
XLogP4.47
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
CID 117068960
2-[2-(2-fluorophenyl)ethyl]-4-methoxyquinoline
CID 142134657
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine
CID 56846683
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
CID 16638258
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298653
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride (CID 16637848) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride is COc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC.Cl.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride?
The InChIKey is LZWOWJFTYQZUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3.ClH/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15;/h4-7,9,11-13H,8,10H2,1-3H3;1H.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride?
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride has a molecular weight of 359.85 g/mol, XLogP of 4.47, 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]-4-methoxyquinoline;hydrochloride is sourced from PubChem (CID 16637848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).