1-tert-butyl-2-phenylquinolin-4-one

C19H19NO — CID 166440287

IUPAC1-tert-butyl-2-phenylquinolin-4-one
SMILESCC(C)(C)n1c(-c2ccccc2)cc(=O)c2ccccc21
InChIInChI=1S/C19H19NO/c1-19(2,3)20-16-12-8-7-11-15(16)18(21)13-17(20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyBDGNJUPEFDZQPI-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.42
Rot. Bonds1

About 1-tert-butyl-2-phenylquinolin-4-one

1-tert-butyl-2-phenylquinolin-4-one (PubChem CID 166440287) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-tert-butyl-2-phenylquinolin-4-one.

Molecular Properties

Compound Name1-tert-butyl-2-phenylquinolin-4-one
PubChem CID166440287
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-tert-butyl-2-phenylquinolin-4-one
SMILESCC(C)(C)n1c(-c2ccccc2)cc(=O)c2ccccc21
InChIInChI=1S/C19H19NO/c1-19(2,3)20-16-12-8-7-11-15(16)18(21)13-17(20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyBDGNJUPEFDZQPI-UHFFFAOYSA-N
XLogP4.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-chloro-2-phenylindole
CID 134835950
1-(4-chlorophenyl)-2-phenylquinolin-4-one
CID 102287989
4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile
CID 102287988
1,3-ditert-butylquinazoline-2,4-dione
CID 69087292
9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161436375
1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one
CID 102439993
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
2-(3-chlorophenyl)-1-phenylquinolin-4-one
CID 102171684
9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole
CID 163621897
9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole
CID 167590629
1-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-one
CID 53322215
9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane
CID 159278702

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-phenylquinolin-4-one?
The IUPAC name of 1-tert-butyl-2-phenylquinolin-4-one (CID 166440287) is 1-tert-butyl-2-phenylquinolin-4-one.
What is the SMILES notation for 1-tert-butyl-2-phenylquinolin-4-one?
The canonical SMILES for 1-tert-butyl-2-phenylquinolin-4-one is CC(C)(C)n1c(-c2ccccc2)cc(=O)c2ccccc21.
What is the InChIKey of 1-tert-butyl-2-phenylquinolin-4-one?
The InChIKey is BDGNJUPEFDZQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(2,3)20-16-12-8-7-11-15(16)18(21)13-17(20)14-9-5-4-6-10-14/h4-13H,1-3H3.
What are the key properties of 1-tert-butyl-2-phenylquinolin-4-one?
1-tert-butyl-2-phenylquinolin-4-one has a molecular weight of 277.37 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-phenylquinolin-4-one is sourced from PubChem (CID 166440287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).