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

C20H23NO2 — CID 45484271

IUPAC1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol
SMILESCOc1ccc(CN2c3ccc(O)cc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-14-12-20(2,3)21(19-10-7-16(22)11-18(14)19)13-15-5-8-17(23-4)9-6-15/h5-12,22H,13H2,1-4H3
InChIKeyBOUJJPLMDBMFNR-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.60
Rot. Bonds3

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

1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol (PubChem CID 45484271) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol
PubChem CID45484271
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol
SMILESCOc1ccc(CN2c3ccc(O)cc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-14-12-20(2,3)21(19-10-7-16(22)11-18(14)19)13-15-5-8-17(23-4)9-6-15/h5-12,22H,13H2,1-4H3
InChIKeyBOUJJPLMDBMFNR-UHFFFAOYSA-N
XLogP4.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol (CID 45484271) is 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol is COc1ccc(CN2c3ccc(O)cc3C(C)=CC2(C)C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The InChIKey is BOUJJPLMDBMFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-12-20(2,3)21(19-10-7-16(22)11-18(14)19)13-15-5-8-17(23-4)9-6-15/h5-12,22H,13H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol has a molecular weight of 309.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol is sourced from PubChem (CID 45484271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).