6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one

C22H26Cl2N2O3Si — CID 155637455

IUPAC6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one
SMILESCc1cc2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C22H26Cl2N2O3Si/c1-14-9-15-10-17(29-21-18(23)11-16(25)12-19(21)24)5-6-20(15)26(22(14)27)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13,25H2,1-4H3
InChIKeyJHBISRHONYFKFV-UHFFFAOYSA-N
MW465.45 g/mol
LogP6.30
Rot. Bonds7

About 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one

6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one (PubChem CID 155637455) has the molecular formula C22H26Cl2N2O3Si and a molecular weight of 465.45 g/mol. Its IUPAC name is 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one
PubChem CID155637455
Molecular FormulaC22H26Cl2N2O3Si
Molecular Weight465.45 g/mol
Exact Mass464.11
IUPAC Name6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one
SMILESCc1cc2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C22H26Cl2N2O3Si/c1-14-9-15-10-17(29-21-18(23)11-16(25)12-19(21)24)5-6-20(15)26(22(14)27)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13,25H2,1-4H3
InChIKeyJHBISRHONYFKFV-UHFFFAOYSA-N
XLogP6.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.45
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-cyano-2-[[3,5-dichloro-4-[3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)quinolin-6-yl]oxyphenyl]hydrazinylidene]acetyl]carbamate
CID 155637473
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
3,5-dichloro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)oxyaniline
CID 167581422
4-(4-bromo-3,5-dimethylphenoxy)-3,5-dichloroaniline
CID 107722625
ethyl 5-bromo-7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
CID 169003747
6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine
CID 90041803
5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 174175818
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 86688715
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?
The IUPAC name of 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one (CID 155637455) is 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one.
What is the SMILES notation for 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?
The canonical SMILES for 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one is Cc1cc2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2n(COCC[Si](C)(C)C)c1=O.
What is the InChIKey of 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?
The InChIKey is JHBISRHONYFKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3Si/c1-14-9-15-10-17(29-21-18(23)11-16(25)12-19(21)24)5-6-20(15)26(22(14)27)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13,25H2,1-4H3.
What are the key properties of 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?
6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one has a molecular weight of 465.45 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one is sourced from PubChem (CID 155637455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).