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

C12H17N3O — CID 61358971

IUPAC2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C12H17N3O/c1-14-11(16)8-15-7-3-5-9-4-2-6-10(13)12(9)15/h2,4,6H,3,5,7-8,13H2,1H3,(H,14,16)
InChIKeyHOHWGYUKKKPKAG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.77
Rot. Bonds2

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

2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide (PubChem CID 61358971) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
PubChem CID61358971
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C12H17N3O/c1-14-11(16)8-15-7-3-5-9-4-2-6-10(13)12(9)15/h2,4,6H,3,5,7-8,13H2,1H3,(H,14,16)
InChIKeyHOHWGYUKKKPKAG-UHFFFAOYSA-N
XLogP0.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
CID 61489791
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
CID 61357996
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
CID 61485896
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
CID 114456658
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 114456579
methyl 4-[[2-(7-amino-2,3-dihydroindol-1-yl)acetyl]amino]butanoate
CID 114456249
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671
1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine
CID 114201164

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide (CID 61358971) is 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide is CNC(=O)CN1CCCc2cccc(N)c21.
What is the InChIKey of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The InChIKey is HOHWGYUKKKPKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-11(16)8-15-7-3-5-9-4-2-6-10(13)12(9)15/h2,4,6H,3,5,7-8,13H2,1H3,(H,14,16).
What are the key properties of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide has a molecular weight of 219.29 g/mol, XLogP of 0.77, 2 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-methylacetamide is sourced from PubChem (CID 61358971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).