N-(2-ethyl-3-methylquinolin-4-yl)butanamide

C16H20N2O — CID 787490

IUPACN-(2-ethyl-3-methylquinolin-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)c(CC)nc2ccccc12
InChIInChI=1S/C16H20N2O/c1-4-8-15(19)18-16-11(3)13(5-2)17-14-10-7-6-9-12(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyWHIAHLRDVNSAKJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.84
Rot. Bonds4

About N-(2-ethyl-3-methylquinolin-4-yl)butanamide

N-(2-ethyl-3-methylquinolin-4-yl)butanamide (PubChem CID 787490) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-ethyl-3-methylquinolin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-ethyl-3-methylquinolin-4-yl)butanamide
PubChem CID787490
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-ethyl-3-methylquinolin-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)c(CC)nc2ccccc12
InChIInChI=1S/C16H20N2O/c1-4-8-15(19)18-16-11(3)13(5-2)17-14-10-7-6-9-12(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyWHIAHLRDVNSAKJ-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium
CID 6962287
tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium
CID 4000586
3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide
CID 1124745
N-[2-chloro-4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]butanamide
CID 166510856
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 23933540
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-[(3-methylquinoxalin-2-yl)methyl]butanamide
CID 110869650
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 39766171
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium
CID 7300204

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methylquinolin-4-yl)butanamide?
The IUPAC name of N-(2-ethyl-3-methylquinolin-4-yl)butanamide (CID 787490) is N-(2-ethyl-3-methylquinolin-4-yl)butanamide.
What is the SMILES notation for N-(2-ethyl-3-methylquinolin-4-yl)butanamide?
The canonical SMILES for N-(2-ethyl-3-methylquinolin-4-yl)butanamide is CCCC(=O)Nc1c(C)c(CC)nc2ccccc12.
What is the InChIKey of N-(2-ethyl-3-methylquinolin-4-yl)butanamide?
The InChIKey is WHIAHLRDVNSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-8-15(19)18-16-11(3)13(5-2)17-14-10-7-6-9-12(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19).
What are the key properties of N-(2-ethyl-3-methylquinolin-4-yl)butanamide?
N-(2-ethyl-3-methylquinolin-4-yl)butanamide has a molecular weight of 256.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methylquinolin-4-yl)butanamide is sourced from PubChem (CID 787490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).