N-[2-(quinolin-4-ylamino)ethyl]acetamide

C13H15N3O — CID 10657038

IUPACN-[2-(quinolin-4-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccnc2ccccc12
InChIInChI=1S/C13H15N3O/c1-10(17)14-8-9-16-13-6-7-15-12-5-3-2-4-11(12)13/h2-7H,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyUAHOPZDJEOTXEI-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(quinolin-4-ylamino)ethyl]acetamide

N-[2-(quinolin-4-ylamino)ethyl]acetamide (PubChem CID 10657038) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(quinolin-4-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(quinolin-4-ylamino)ethyl]acetamide
PubChem CID10657038
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[2-(quinolin-4-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccnc2ccccc12
InChIInChI=1S/C13H15N3O/c1-10(17)14-8-9-16-13-6-7-15-12-5-3-2-4-11(12)13/h2-7H,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyUAHOPZDJEOTXEI-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(quinolin-4-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(quinolin-4-ylamino)ethyl]acetamide (CID 10657038) is N-[2-(quinolin-4-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(quinolin-4-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(quinolin-4-ylamino)ethyl]acetamide is CC(=O)NCCNc1ccnc2ccccc12.
What is the InChIKey of N-[2-(quinolin-4-ylamino)ethyl]acetamide?
The InChIKey is UAHOPZDJEOTXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(17)14-8-9-16-13-6-7-15-12-5-3-2-4-11(12)13/h2-7H,8-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(quinolin-4-ylamino)ethyl]acetamide?
N-[2-(quinolin-4-ylamino)ethyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(quinolin-4-ylamino)ethyl]acetamide is sourced from PubChem (CID 10657038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).