N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide

C28H27N3O2 — CID 71462178

IUPACN-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide
SMILESO=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1
InChIInChI=1S/C28H27N3O2/c32-28(26-15-14-22-10-4-6-12-25(22)30-26)29-23-16-17-31(20-23)18-19-33-27-13-7-5-11-24(27)21-8-2-1-3-9-21/h1-15,23H,16-20H2,(H,29,32)
InChIKeyLYYTTXCSEIAHQX-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.78
Rot. Bonds7

About N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide

N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide (PubChem CID 71462178) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide
PubChem CID71462178
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide
SMILESO=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1
InChIInChI=1S/C28H27N3O2/c32-28(26-15-14-22-10-4-6-12-25(22)30-26)29-23-16-17-31(20-23)18-19-33-27-13-7-5-11-24(27)21-8-2-1-3-9-21/h1-15,23H,16-20H2,(H,29,32)
InChIKeyLYYTTXCSEIAHQX-UHFFFAOYSA-N
XLogP4.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide 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 N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide?
The IUPAC name of N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide (CID 71462178) is N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide is O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1.
What is the InChIKey of N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide?
The InChIKey is LYYTTXCSEIAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-28(26-15-14-22-10-4-6-12-25(22)30-26)29-23-16-17-31(20-23)18-19-33-27-13-7-5-11-24(27)21-8-2-1-3-9-21/h1-15,23H,16-20H2,(H,29,32).
What are the key properties of N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide?
N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide is sourced from PubChem (CID 71462178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).