1-benzyl-2,2,4-trimethylquinolin-6-ol

C19H21NO — CID 45484215

IUPAC1-benzyl-2,2,4-trimethylquinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C19H21NO/c1-14-12-19(2,3)20(13-15-7-5-4-6-8-15)18-10-9-16(21)11-17(14)18/h4-12,21H,13H2,1-3H3
InChIKeyONSASDVFHRWHJX-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.59
Rot. Bonds2

About 1-benzyl-2,2,4-trimethylquinolin-6-ol

1-benzyl-2,2,4-trimethylquinolin-6-ol (PubChem CID 45484215) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-benzyl-2,2,4-trimethylquinolin-6-ol.

Molecular Properties

Compound Name1-benzyl-2,2,4-trimethylquinolin-6-ol
PubChem CID45484215
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-benzyl-2,2,4-trimethylquinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C19H21NO/c1-14-12-19(2,3)20(13-15-7-5-4-6-8-15)18-10-9-16(21)11-17(14)18/h4-12,21H,13H2,1-3H3
InChIKeyONSASDVFHRWHJX-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2,4-trimethylquinolin-6-ol?
The IUPAC name of 1-benzyl-2,2,4-trimethylquinolin-6-ol (CID 45484215) is 1-benzyl-2,2,4-trimethylquinolin-6-ol.
What is the SMILES notation for 1-benzyl-2,2,4-trimethylquinolin-6-ol?
The canonical SMILES for 1-benzyl-2,2,4-trimethylquinolin-6-ol is CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(O)cc21.
What is the InChIKey of 1-benzyl-2,2,4-trimethylquinolin-6-ol?
The InChIKey is ONSASDVFHRWHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-12-19(2,3)20(13-15-7-5-4-6-8-15)18-10-9-16(21)11-17(14)18/h4-12,21H,13H2,1-3H3.
What are the key properties of 1-benzyl-2,2,4-trimethylquinolin-6-ol?
1-benzyl-2,2,4-trimethylquinolin-6-ol has a molecular weight of 279.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,4-trimethylquinolin-6-ol is sourced from PubChem (CID 45484215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).