1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride

C20H24ClNO2 — CID 50994662

IUPAC1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
SMILESCOc1ccccc1CN1c2ccc(O)cc2C(C)=CC1(C)C.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-14-12-20(2,3)21(18-10-9-16(22)11-17(14)18)13-15-7-5-6-8-19(15)23-4;/h5-12,22H,13H2,1-4H3;1H
InChIKeyYVPLJAVITAABQN-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.02
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride

1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride (PubChem CID 50994662) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
PubChem CID50994662
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
SMILESCOc1ccccc1CN1c2ccc(O)cc2C(C)=CC1(C)C.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-14-12-20(2,3)21(18-10-9-16(22)11-17(14)18)13-15-7-5-6-8-19(15)23-4;/h5-12,22H,13H2,1-4H3;1H
InChIKeyYVPLJAVITAABQN-UHFFFAOYSA-N
XLogP5.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945
4-[2-(4-Methoxyphenyl)diaz-1-enyl]-2-methyl-6-(piperidinomethyl)phenol
CID 2801983
1-Benzyl-2,2,4-trimethylquinolin-6-ol
CID 45484215
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474
Alpha-(P-phenetidino)-O-cresol
CID 853654
Cambridge id 5411429
CID 782011
4-[(2-Ethoxybenzyl)amino]phenol
CID 833983
[1-Benzyl-6-methoxy-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 10315748
6-(4-Methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 23635861
2-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 24807980

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride (CID 50994662) is 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride is COc1ccccc1CN1c2ccc(O)cc2C(C)=CC1(C)C.Cl.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The InChIKey is YVPLJAVITAABQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c1-14-12-20(2,3)21(18-10-9-16(22)11-17(14)18)13-15-7-5-6-8-19(15)23-4;/h5-12,22H,13H2,1-4H3;1H.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride is sourced from PubChem (CID 50994662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).