2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide

C16H25N3O — CID 61489791

IUPAC2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C16H25N3O/c1-3-13(4-2)18-15(20)11-19-10-6-8-12-7-5-9-14(17)16(12)19/h5,7,9,13H,3-4,6,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyZRWRITGFEJPXHU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.33
Rot. Bonds5

About 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide

2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide (PubChem CID 61489791) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
PubChem CID61489791
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C16H25N3O/c1-3-13(4-2)18-15(20)11-19-10-6-8-12-7-5-9-14(17)16(12)19/h5,7,9,13H,3-4,6,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyZRWRITGFEJPXHU-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide (CID 61489791) is 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCCc2cccc(N)c21.
What is the InChIKey of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is ZRWRITGFEJPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13(4-2)18-15(20)11-19-10-6-8-12-7-5-9-14(17)16(12)19/h5,7,9,13H,3-4,6,8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide?
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 275.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 61489791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).