5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide

C29H31BrN2OSi — CID 163364514

IUPAC5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide
SMILESC[Si](C)(CC(CCc1ccc(Br)cc1)CC(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C29H31BrN2OSi/c1-34(2,26-10-4-3-5-11-26)21-23(14-13-22-15-17-25(30)18-16-22)20-28(33)32-27-12-6-8-24-9-7-19-31-29(24)27/h3-12,15-19,23H,13-14,20-21H2,1-2H3,(H,32,33)
InChIKeyMJFJAQRJMDEAMV-UHFFFAOYSA-N
MW531.57 g/mol
LogP7.19
Rot. Bonds9

About 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide

5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide (PubChem CID 163364514) has the molecular formula C29H31BrN2OSi and a molecular weight of 531.57 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide
PubChem CID163364514
Molecular FormulaC29H31BrN2OSi
Molecular Weight531.57 g/mol
Exact Mass530.14
IUPAC Name5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide
SMILESC[Si](C)(CC(CCc1ccc(Br)cc1)CC(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C29H31BrN2OSi/c1-34(2,26-10-4-3-5-11-26)21-23(14-13-22-15-17-25(30)18-16-22)20-28(33)32-27-12-6-8-24-9-7-19-31-29(24)27/h3-12,15-19,23H,13-14,20-21H2,1-2H3,(H,32,33)
InChIKeyMJFJAQRJMDEAMV-UHFFFAOYSA-N
XLogP7.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.57
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide
CID 163364486
6-phenyl-N-quinolin-8-yl-3-(trimethylsilylmethyl)hexanamide
CID 163364527
3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide
CID 175252766
5-[dimethyl(phenyl)silyl]-4-methyl-N-quinolin-8-ylpentanamide
CID 163364489
3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
CID 163364528
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
3-(cyanomethyl)-N-quinolin-8-ylhexanamide
CID 132516611
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide?
The IUPAC name of 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide (CID 163364514) is 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide?
The canonical SMILES for 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide is C[Si](C)(CC(CCc1ccc(Br)cc1)CC(=O)Nc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide?
The InChIKey is MJFJAQRJMDEAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31BrN2OSi/c1-34(2,26-10-4-3-5-11-26)21-23(14-13-22-15-17-25(30)18-16-22)20-28(33)32-27-12-6-8-24-9-7-19-31-29(24)27/h3-12,15-19,23H,13-14,20-21H2,1-2H3,(H,32,33).
What are the key properties of 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide?
5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide has a molecular weight of 531.57 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide is sourced from PubChem (CID 163364514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).