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

C26H22ClNO2 — CID 132850354

IUPAC4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
SMILESCc1cc(C)c(Cn2c(=O)cc(C(=O)c3ccccc3)c3cc(Cl)ccc32)c(C)c1
InChIInChI=1S/C26H22ClNO2/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
InChIKeyNGKSJMZXQHVZLO-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.86
Rot. Bonds4

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

4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one (PubChem CID 132850354) has the molecular formula C26H22ClNO2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
PubChem CID132850354
Molecular FormulaC26H22ClNO2
Molecular Weight415.92 g/mol
Exact Mass415.13
IUPAC Name4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
SMILESCc1cc(C)c(Cn2c(=O)cc(C(=O)c3ccccc3)c3cc(Cl)ccc32)c(C)c1
InChIInChI=1S/C26H22ClNO2/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
InChIKeyNGKSJMZXQHVZLO-UHFFFAOYSA-N
XLogP5.86
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.86
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
3-benzoyl-6,8-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
CID 132577816
4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
CID 134910716
methyl 4-benzoyl-1-benzyl-6-chloro-2-oxoquinoline-3-carboxylate
CID 132536891
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
(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
3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008237
[5-chloro-2-methyl-1-(1-methylsulfanylpropan-2-yl)indol-3-yl]-phenylmethanone
CID 70528138
5-benzoyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 53446652
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
CID 39767907

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The IUPAC name of 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one (CID 132850354) is 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one is Cc1cc(C)c(Cn2c(=O)cc(C(=O)c3ccccc3)c3cc(Cl)ccc32)c(C)c1.
What is the InChIKey of 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
The InChIKey is NGKSJMZXQHVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO2/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-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one?
4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one has a molecular weight of 415.92 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 132850354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).