1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol

C21H25NO3 — CID 45484238

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol
SMILESCOc1cc(CN2c3ccc(O)cc3C(C)=CC2(C)C)cc(OC)c1
InChIInChI=1S/C21H25NO3/c1-14-12-21(2,3)22(20-7-6-16(23)10-19(14)20)13-15-8-17(24-4)11-18(9-15)25-5/h6-12,23H,13H2,1-5H3
InChIKeyHLCICOYUHDQWKF-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.61
Rot. Bonds4

About 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol

1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol (PubChem CID 45484238) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol
PubChem CID45484238
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol
SMILESCOc1cc(CN2c3ccc(O)cc3C(C)=CC2(C)C)cc(OC)c1
InChIInChI=1S/C21H25NO3/c1-14-12-21(2,3)22(20-7-6-16(23)10-19(14)20)13-15-8-17(24-4)11-18(9-15)25-5/h6-12,23H,13H2,1-5H3
InChIKeyHLCICOYUHDQWKF-UHFFFAOYSA-N
XLogP4.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol (CID 45484238) is 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol is COc1cc(CN2c3ccc(O)cc3C(C)=CC2(C)C)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The InChIKey is HLCICOYUHDQWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14-12-21(2,3)22(20-7-6-16(23)10-19(14)20)13-15-8-17(24-4)11-18(9-15)25-5/h6-12,23H,13H2,1-5H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol has a molecular weight of 339.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol is sourced from PubChem (CID 45484238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).