6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one

C19H19NO2 — CID 10541755

IUPAC6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1
InChIInChI=1S/C19H19NO2/c1-19(2,3)13-6-9-16-15(10-13)18(22)11-17(20-16)12-4-7-14(21)8-5-12/h4-11,21H,1-3H3,(H,20,22)
InChIKeyNCOPTWSRBSOXFH-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.20
Rot. Bonds1

About 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one

6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one (PubChem CID 10541755) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
PubChem CID10541755
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1
InChIInChI=1S/C19H19NO2/c1-19(2,3)13-6-9-16-15(10-13)18(22)11-17(20-16)12-4-7-14(21)8-5-12/h4-11,21H,1-3H3,(H,20,22)
InChIKeyNCOPTWSRBSOXFH-UHFFFAOYSA-N
XLogP4.20
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one (CID 10541755) is 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one is CC(C)(C)c1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1.
What is the InChIKey of 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one?
The InChIKey is NCOPTWSRBSOXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2,3)13-6-9-16-15(10-13)18(22)11-17(20-16)12-4-7-14(21)8-5-12/h4-11,21H,1-3H3,(H,20,22).
What are the key properties of 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one?
6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 4.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 10541755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).