2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide

C15H23N3O — CID 62266731

IUPAC2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCc2ccc(N)cc21
InChIInChI=1S/C15H23N3O/c1-3-17(4-2)15(19)11-18-9-5-6-12-7-8-13(16)10-14(12)18/h7-8,10H,3-6,9,11,16H2,1-2H3
InChIKeyRUHGIHUJYHVOKW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.89
Rot. Bonds4

About 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide

2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide (PubChem CID 62266731) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide
PubChem CID62266731
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCc2ccc(N)cc21
InChIInChI=1S/C15H23N3O/c1-3-17(4-2)15(19)11-18-9-5-6-12-7-8-13(16)10-14(12)18/h7-8,10H,3-6,9,11,16H2,1-2H3
InChIKeyRUHGIHUJYHVOKW-UHFFFAOYSA-N
XLogP1.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.89
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-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide (CID 62266731) is 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCc2ccc(N)cc21.
What is the InChIKey of 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide?
The InChIKey is RUHGIHUJYHVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-17(4-2)15(19)11-18-9-5-6-12-7-8-13(16)10-14(12)18/h7-8,10H,3-6,9,11,16H2,1-2H3.
What are the key properties of 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide?
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide has a molecular weight of 261.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 62266731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).