N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C25H29N3O3 — CID 3216649

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C25H29N3O3/c1-2-31-22-10-11-23-20(17-22)16-21(24(29)26-23)18-28(25(30)27-13-6-7-14-27)15-12-19-8-4-3-5-9-19/h3-5,8-11,16-17H,2,6-7,12-15,18H2,1H3,(H,26,29)
InChIKeyHHWRYIWNHHTSPG-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.19
Rot. Bonds7

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 3216649) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID3216649
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C25H29N3O3/c1-2-31-22-10-11-23-20(17-22)16-21(24(29)26-23)18-28(25(30)27-13-6-7-14-27)15-12-19-8-4-3-5-9-19/h3-5,8-11,16-17H,2,6-7,12-15,18H2,1H3,(H,26,29)
InChIKeyHHWRYIWNHHTSPG-UHFFFAOYSA-N
XLogP4.19
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-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-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 3216649) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCCC3)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is HHWRYIWNHHTSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-2-31-22-10-11-23-20(17-22)16-21(24(29)26-23)18-28(25(30)27-13-6-7-14-27)15-12-19-8-4-3-5-9-19/h3-5,8-11,16-17H,2,6-7,12-15,18H2,1H3,(H,26,29).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 3216649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).