N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide

C34H32Cl2N2O3Si — CID 19592597

IUPACN-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCC(C)(C)[Si](OCc1c(CO)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32Cl2N2O3Si/c1-34(2,3)42(24-12-6-4-7-13-24,25-14-8-5-9-15-25)41-22-27-23(21-39)20-37-32-26(27)16-10-19-30(32)38-33(40)31-28(35)17-11-18-29(31)36/h4-20,39H,21-22H2,1-3H3,(H,38,40)
InChIKeySTVUGYHVJBRGOS-UHFFFAOYSA-N
MW615.63 g/mol
LogP7.36
Rot. Bonds8

About N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide

N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592597) has the molecular formula C34H32Cl2N2O3Si and a molecular weight of 615.63 g/mol. Its IUPAC name is N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592597
Molecular FormulaC34H32Cl2N2O3Si
Molecular Weight615.63 g/mol
Exact Mass614.16
IUPAC NameN-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCC(C)(C)[Si](OCc1c(CO)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32Cl2N2O3Si/c1-34(2,3)42(24-12-6-4-7-13-24,25-14-8-5-9-15-25)41-22-27-23(21-39)20-37-32-26(27)16-10-19-30(32)38-33(40)31-28(35)17-11-18-29(31)36/h4-20,39H,21-22H2,1-3H3,(H,38,40)
InChIKeySTVUGYHVJBRGOS-UHFFFAOYSA-N
XLogP7.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.63
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[6-fluoro-3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782433
2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide
CID 139782449
2,6-dichloro-N-[3-(1-hydroxy-2-nitroethyl)quinolin-8-yl]benzamide
CID 17915625
2,6-dichloro-N-[3-(methoxymethyl)-4-piperidin-1-ylquinolin-8-yl]benzamide
CID 17915635
2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 19592293
8-(2,6-Dichlorobenzoylamino)-3-hydroxymethylquinoline
CID 19592295
2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide
CID 19592296
8-(2,6-Dichlorobenzoylamino)-4-hydrazino-3-hydroxymethylquinoline
CID 19592299
8-(2,6-Dichlorobenzoylamino)-3-ethyl-4-(2-hydroxyethyl)quinoline
CID 19592302
2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 19592308
4-Carboxymethyl-8-(2,6-dichlorobenzoylamino)-3-ethylquinoline
CID 19592326
4-(tert-butyldiphenylsilyloxymethyl)-8-(2,6-dichlorobenzoylamino)-3-(N-methoxy-N-methylcarbamoyl)quinoline
CID 19592337

Frequently Asked Questions

What is the IUPAC name of N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide (CID 19592597) is N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide is CC(C)(C)[Si](OCc1c(CO)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is STVUGYHVJBRGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N2O3Si/c1-34(2,3)42(24-12-6-4-7-13-24,25-14-8-5-9-15-25)41-22-27-23(21-39)20-37-32-26(27)16-10-19-30(32)38-33(40)31-28(35)17-11-18-29(31)36/h4-20,39H,21-22H2,1-3H3,(H,38,40).
What are the key properties of N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 615.63 g/mol, XLogP of 7.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).