2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol

C20H23NO — CID 45484251

IUPAC2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccc(C)cc2)c2ccc(O)cc21
InChIInChI=1S/C20H23NO/c1-14-5-7-16(8-6-14)13-21-19-10-9-17(22)11-18(19)15(2)12-20(21,3)4/h5-12,22H,13H2,1-4H3
InChIKeyVWLCXBULZCVZHP-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.90
Rot. Bonds2

About 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol

2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol (PubChem CID 45484251) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol
PubChem CID45484251
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccc(C)cc2)c2ccc(O)cc21
InChIInChI=1S/C20H23NO/c1-14-5-7-16(8-6-14)13-21-19-10-9-17(22)11-18(19)15(2)12-20(21,3)4/h5-12,22H,13H2,1-4H3
InChIKeyVWLCXBULZCVZHP-UHFFFAOYSA-N
XLogP4.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol?
The IUPAC name of 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol (CID 45484251) is 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol.
What is the SMILES notation for 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol?
The canonical SMILES for 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol is CC1=CC(C)(C)N(Cc2ccc(C)cc2)c2ccc(O)cc21.
What is the InChIKey of 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol?
The InChIKey is VWLCXBULZCVZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14-5-7-16(8-6-14)13-21-19-10-9-17(22)11-18(19)15(2)12-20(21,3)4/h5-12,22H,13H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol?
2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol has a molecular weight of 293.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol is sourced from PubChem (CID 45484251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).