N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

C19H25N3O3 — CID 3242380

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN1CCCC1CNC(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-3-22-10-6-7-14(22)12-20-18(23)13-25-17-11-19(24)21(2)16-9-5-4-8-15(16)17/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,20,23)
InChIKeyYYRAQNRNOUGRIX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.52
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3242380) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3242380
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN1CCCC1CNC(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-3-22-10-6-7-14(22)12-20-18(23)13-25-17-11-19(24)21(2)16-9-5-4-8-15(16)17/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,20,23)
InChIKeyYYRAQNRNOUGRIX-UHFFFAOYSA-N
XLogP1.52
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3242380) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is CCN1CCCC1CNC(=O)COc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is YYRAQNRNOUGRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-22-10-6-7-14(22)12-20-18(23)13-25-17-11-19(24)21(2)16-9-5-4-8-15(16)17/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 343.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3242380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).