N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide

C17H22N2O4 — CID 648609

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)CC)cc2c1
InChIInChI=1S/C17H22N2O4/c1-3-16(21)19(7-8-20)11-13-9-12-10-14(23-4-2)5-6-15(12)18-17(13)22/h5-6,9-10,20H,3-4,7-8,11H2,1-2H3,(H,18,22)
InChIKeyYNKFXXQJYVOWRR-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.66
Rot. Bonds7

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide (PubChem CID 648609) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide
PubChem CID648609
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)CC)cc2c1
InChIInChI=1S/C17H22N2O4/c1-3-16(21)19(7-8-20)11-13-9-12-10-14(23-4-2)5-6-15(12)18-17(13)22/h5-6,9-10,20H,3-4,7-8,11H2,1-2H3,(H,18,22)
InChIKeyYNKFXXQJYVOWRR-UHFFFAOYSA-N
XLogP1.66
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide 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-hydroxyethyl)propanamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide (CID 648609) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide is CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)CC)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is YNKFXXQJYVOWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-16(21)19(7-8-20)11-13-9-12-10-14(23-4-2)5-6-15(12)18-17(13)22/h5-6,9-10,20H,3-4,7-8,11H2,1-2H3,(H,18,22).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 318.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 648609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).