2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide

C16H21N3O2 — CID 61488262

IUPAC2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)CCc2cc(N)ccc21)C1CC1
InChIInChI=1S/C16H21N3O2/c1-2-18(13-5-6-13)16(21)10-19-14-7-4-12(17)9-11(14)3-8-15(19)20/h4,7,9,13H,2-3,5-6,8,10,17H2,1H3
InChIKeyYNXJJPCUTAACSJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.56
Rot. Bonds4

About 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide

2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488262) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID61488262
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)CCc2cc(N)ccc21)C1CC1
InChIInChI=1S/C16H21N3O2/c1-2-18(13-5-6-13)16(21)10-19-14-7-4-12(17)9-11(14)3-8-15(19)20/h4,7,9,13H,2-3,5-6,8,10,17H2,1H3
InChIKeyYNXJJPCUTAACSJ-UHFFFAOYSA-N
XLogP1.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
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-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide (CID 61488262) is 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1C(=O)CCc2cc(N)ccc21)C1CC1.
What is the InChIKey of 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is YNXJJPCUTAACSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-18(13-5-6-13)16(21)10-19-14-7-4-12(17)9-11(14)3-8-15(19)20/h4,7,9,13H,2-3,5-6,8,10,17H2,1H3.
What are the key properties of 2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide?
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 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-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).