(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide

C27H31N3O4Si — CID 134160194

IUPAC(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H31N3O4Si/c1-27(2,3)35(4,5)34-17-15-22(30-25(32)19-12-6-7-13-20(19)26(30)33)24(31)29-21-14-8-10-18-11-9-16-28-23(18)21/h6-14,16,22H,15,17H2,1-5H3,(H,29,31)/t22-/m0/s1
InChIKeyURXJNVXHAWCALG-QFIPXVFZSA-N
MW489.65 g/mol
LogP5.25
Rot. Bonds7

About (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide (PubChem CID 134160194) has the molecular formula C27H31N3O4Si and a molecular weight of 489.65 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide
PubChem CID134160194
Molecular FormulaC27H31N3O4Si
Molecular Weight489.65 g/mol
Exact Mass489.21
IUPAC Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H31N3O4Si/c1-27(2,3)35(4,5)34-17-15-22(30-25(32)19-12-6-7-13-20(19)26(30)33)24(31)29-21-14-8-10-18-11-9-16-28-23(18)21/h6-14,16,22H,15,17H2,1-5H3,(H,29,31)/t22-/m0/s1
InChIKeyURXJNVXHAWCALG-QFIPXVFZSA-N
XLogP5.25
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.65
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide?
The IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide (CID 134160194) is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide.
What is the SMILES notation for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide?
The canonical SMILES for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide is CC(C)(C)[Si](C)(C)OCC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide?
The InChIKey is URXJNVXHAWCALG-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H31N3O4Si/c1-27(2,3)35(4,5)34-17-15-22(30-25(32)19-12-6-7-13-20(19)26(30)33)24(31)29-21-14-8-10-18-11-9-16-28-23(18)21/h6-14,16,22H,15,17H2,1-5H3,(H,29,31)/t22-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide?
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide has a molecular weight of 489.65 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 134160194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).