2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide

C29H27N3O2 — CID 5072389

IUPAC2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)N(CCCc1ccccc1)Cc1cnc2ccccc2c1
InChIInChI=1S/C29H27N3O2/c33-28(21-32-20-25-13-4-6-14-26(25)29(32)34)31(16-8-11-22-9-2-1-3-10-22)19-23-17-24-12-5-7-15-27(24)30-18-23/h1-7,9-10,12-15,17-18H,8,11,16,19-21H2
InChIKeyXKDIQEYEIQZAJJ-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.85
Rot. Bonds8

About 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide

2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide (PubChem CID 5072389) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide
PubChem CID5072389
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)N(CCCc1ccccc1)Cc1cnc2ccccc2c1
InChIInChI=1S/C29H27N3O2/c33-28(21-32-20-25-13-4-6-14-26(25)29(32)34)31(16-8-11-22-9-2-1-3-10-22)19-23-17-24-12-5-7-15-27(24)30-18-23/h1-7,9-10,12-15,17-18H,8,11,16,19-21H2
InChIKeyXKDIQEYEIQZAJJ-UHFFFAOYSA-N
XLogP4.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide (CID 5072389) is 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide is O=C(CN1Cc2ccccc2C1=O)N(CCCc1ccccc1)Cc1cnc2ccccc2c1.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide?
The InChIKey is XKDIQEYEIQZAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28(21-32-20-25-13-4-6-14-26(25)29(32)34)31(16-8-11-22-9-2-1-3-10-22)19-23-17-24-12-5-7-15-27(24)30-18-23/h1-7,9-10,12-15,17-18H,8,11,16,19-21H2.
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide?
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide has a molecular weight of 449.55 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide is sourced from PubChem (CID 5072389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).