2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide

C15H21N3O2 — CID 43446594

IUPAC2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C15H21N3O2/c1-3-10(2)17-14(19)9-18-13-6-5-12(16)8-11(13)4-7-15(18)20/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyOPRKPWVMYGPWFB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.46
Rot. Bonds4

About 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide

2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide (PubChem CID 43446594) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
PubChem CID43446594
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C15H21N3O2/c1-3-10(2)17-14(19)9-18-13-6-5-12(16)8-11(13)4-7-15(18)20/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,19)
InChIKeyOPRKPWVMYGPWFB-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.46
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-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide (CID 43446594) is 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide?
The InChIKey is OPRKPWVMYGPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10(2)17-14(19)9-18-13-6-5-12(16)8-11(13)4-7-15(18)20/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide?
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide is sourced from PubChem (CID 43446594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).