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

C21H29N3O3 — CID 20862044

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCCN1CCCC1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C21H29N3O3/c1-3-24-12-6-8-16(24)15-22-20(25)11-7-13-27-19-14-21(26)23(2)18-10-5-4-9-17(18)19/h4-5,9-10,14,16H,3,6-8,11-13,15H2,1-2H3,(H,22,25)
InChIKeyMSJRYDSABXPAOZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.30
Rot. Bonds8

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 20862044) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID20862044
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCCN1CCCC1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C21H29N3O3/c1-3-24-12-6-8-16(24)15-22-20(25)11-7-13-27-19-14-21(26)23(2)18-10-5-4-9-17(18)19/h4-5,9-10,14,16H,3,6-8,11-13,15H2,1-2H3,(H,22,25)
InChIKeyMSJRYDSABXPAOZ-UHFFFAOYSA-N
XLogP2.30
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide
CID 20862069
N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862027
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 46369733
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide
CID 97265260
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239933
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91822594
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124847936
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 110205323
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850987
4-butoxy-N-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 60589470
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124673763

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 20862044) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is CCN1CCCC1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is MSJRYDSABXPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-24-12-6-8-16(24)15-22-20(25)11-7-13-27-19-14-21(26)23(2)18-10-5-4-9-17(18)19/h4-5,9-10,14,16H,3,6-8,11-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 371.48 g/mol, XLogP of 2.30, 8 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]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 20862044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).