N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide

C17H23N3O — CID 133401980

IUPACN-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
SMILESCCc1cc(N(C)CCCNC(C)=O)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-4-14-12-17(15-8-5-6-9-16(15)19-14)20(3)11-7-10-18-13(2)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,21)
InChIKeyIEBXZLKAVXGVGE-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.76
Rot. Bonds6

About N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide

N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide (PubChem CID 133401980) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
PubChem CID133401980
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
SMILESCCc1cc(N(C)CCCNC(C)=O)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-4-14-12-17(15-8-5-6-9-16(15)19-14)20(3)11-7-10-18-13(2)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,21)
InChIKeyIEBXZLKAVXGVGE-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
CID 133402476
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide
CID 133313683
2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 133402186
[4-[2-methoxyethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376401
2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81061779

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide?
The IUPAC name of N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide (CID 133401980) is N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide is CCc1cc(N(C)CCCNC(C)=O)c2ccccc2n1.
What is the InChIKey of N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide?
The InChIKey is IEBXZLKAVXGVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-14-12-17(15-8-5-6-9-16(15)19-14)20(3)11-7-10-18-13(2)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide?
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide is sourced from PubChem (CID 133401980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).