3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide

C15H19N3O — CID 62833896

IUPAC3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
SMILESCCNCCC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C15H19N3O/c1-3-16-9-8-15(19)18-14-10-11(2)17-13-7-5-4-6-12(13)14/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyFZHSRSALRFHUAA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.48
Rot. Bonds5

About 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide

3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide (PubChem CID 62833896) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
PubChem CID62833896
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
SMILESCCNCCC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C15H19N3O/c1-3-16-9-8-15(19)18-14-10-11(2)17-13-7-5-4-6-12(13)14/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyFZHSRSALRFHUAA-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
CID 44596231
6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide
CID 143593067
N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 75526048
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629143
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-methylquinolin-4-yl)propanamide
CID 3095476
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide
CID 172561837
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide (CID 62833896) is 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide is CCNCCC(=O)Nc1cc(C)nc2ccccc12.
What is the InChIKey of 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide?
The InChIKey is FZHSRSALRFHUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-16-9-8-15(19)18-14-10-11(2)17-13-7-5-4-6-12(13)14/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide?
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide is sourced from PubChem (CID 62833896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).