4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one

C26H22BrNO2 — CID 132850355

IUPAC4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
SMILESCc1cc(C)c(Cn2c(=O)cc(C(=O)c3ccccc3)c3cc(Br)ccc32)c(C)c1
InChIInChI=1S/C26H22BrNO2/c1-16-11-17(2)23(18(3)12-16)15-28-24-10-9-20(27)13-21(24)22(14-25(28)29)26(30)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
InChIKeyPXJFDALWBCPFSE-UHFFFAOYSA-N
MW460.37 g/mol
LogP5.97
Rot. Bonds4

About 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one

4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one (PubChem CID 132850355) has the molecular formula C26H22BrNO2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
PubChem CID132850355
Molecular FormulaC26H22BrNO2
Molecular Weight460.37 g/mol
Exact Mass459.08
IUPAC Name4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
SMILESCc1cc(C)c(Cn2c(=O)cc(C(=O)c3ccccc3)c3cc(Br)ccc32)c(C)c1
InChIInChI=1S/C26H22BrNO2/c1-16-11-17(2)23(18(3)12-16)15-28-24-10-9-20(27)13-21(24)22(14-25(28)29)26(30)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
InChIKeyPXJFDALWBCPFSE-UHFFFAOYSA-N
XLogP5.97
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.37
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
CID 132850354
3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
CID 132577816
4-acetyl-6-bromo-1-ethylquinolin-2-one
CID 134910530
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977758
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028
(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
CID 160533610
4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
CID 134910716
N-(1-benzyl-5-bromo-2-hydroxyindol-3-yl)imino-3-methylbenzamide
CID 3984836
(9-benzyl-2-ethylpyrido[2,3-b]indol-3-yl)-(4-bromophenyl)methanone
CID 15500836
2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)-N-phenylacetamide
CID 1310883
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The IUPAC name of 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one (CID 132850355) is 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one is Cc1cc(C)c(Cn2c(=O)cc(C(=O)c3ccccc3)c3cc(Br)ccc32)c(C)c1.
What is the InChIKey of 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The InChIKey is PXJFDALWBCPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO2/c1-16-11-17(2)23(18(3)12-16)15-28-24-10-9-20(27)13-21(24)22(14-25(28)29)26(30)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3.
What are the key properties of 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one has a molecular weight of 460.37 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 132850355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).