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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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).