3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide

C18H20N4O — CID 131889023

IUPAC3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C18H20N4O/c1-2-17-19-10-12-22(17)11-9-18(23)20-13-15-8-7-14-5-3-4-6-16(14)21-15/h3-8,10,12H,2,9,11,13H2,1H3,(H,20,23)
InChIKeyPRXFHTBUSAFYKZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide

3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide (PubChem CID 131889023) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
PubChem CID131889023
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C18H20N4O/c1-2-17-19-10-12-22(17)11-9-18(23)20-13-15-8-7-14-5-3-4-6-16(14)21-15/h3-8,10,12H,2,9,11,13H2,1H3,(H,20,23)
InChIKeyPRXFHTBUSAFYKZ-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 131913488
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131935821
3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 62222148
3-(2-ethylimidazol-1-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 131900320
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
CID 62325743
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 131926060
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide (CID 131889023) is 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide is CCc1nccn1CCC(=O)NCc1ccc2ccccc2n1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide?
The InChIKey is PRXFHTBUSAFYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-17-19-10-12-22(17)11-9-18(23)20-13-15-8-7-14-5-3-4-6-16(14)21-15/h3-8,10,12H,2,9,11,13H2,1H3,(H,20,23).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide?
3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide is sourced from PubChem (CID 131889023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).