3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one

C28H27NO2 — CID 132577816

IUPAC3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
SMILESCc1cc(C)c(Cn2c(=O)c(C(=O)c3ccccc3)cc3cc(C)cc(C)c32)c(C)c1
InChIInChI=1S/C28H27NO2/c1-17-11-19(3)25(20(4)12-17)16-29-26-21(5)13-18(2)14-23(26)15-24(28(29)31)27(30)22-9-7-6-8-10-22/h6-15H,16H2,1-5H3
InChIKeyGEHWWONXJULRNY-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.82
Rot. Bonds4

About 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one

3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one (PubChem CID 132577816) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
PubChem CID132577816
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
SMILESCc1cc(C)c(Cn2c(=O)c(C(=O)c3ccccc3)cc3cc(C)cc(C)c32)c(C)c1
InChIInChI=1S/C28H27NO2/c1-17-11-19(3)25(20(4)12-17)16-29-26-21(5)13-18(2)14-23(26)15-24(28(29)31)27(30)22-9-7-6-8-10-22/h6-15H,16H2,1-5H3
InChIKeyGEHWWONXJULRNY-UHFFFAOYSA-N
XLogP5.82
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
CID 132850355
4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
CID 132850354
1-benzyl-5,7-dimethylindole-2-carboxylic acid
CID 83968494
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028
(4-methyl-1-phenylpyrrol-3-yl)-phenylmethanone
CID 174972579
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963769

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The IUPAC name of 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one (CID 132577816) is 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one is Cc1cc(C)c(Cn2c(=O)c(C(=O)c3ccccc3)cc3cc(C)cc(C)c32)c(C)c1.
What is the InChIKey of 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The InChIKey is GEHWWONXJULRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-17-11-19(3)25(20(4)12-17)16-29-26-21(5)13-18(2)14-23(26)15-24(28(29)31)27(30)22-9-7-6-8-10-22/h6-15H,16H2,1-5H3.
What are the key properties of 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one has a molecular weight of 409.53 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 132577816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).