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

C15H23N3O — CID 61485896

IUPAC2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C15H23N3O/c1-2-3-9-17-14(19)11-18-10-5-7-12-6-4-8-13(16)15(12)18/h4,6,8H,2-3,5,7,9-11,16H2,1H3,(H,17,19)
InChIKeyXMGKTEZVKMQEIZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.94
Rot. Bonds5

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

2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide (PubChem CID 61485896) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
PubChem CID61485896
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C15H23N3O/c1-2-3-9-17-14(19)11-18-10-5-7-12-6-4-8-13(16)15(12)18/h4,6,8H,2-3,5,7,9-11,16H2,1H3,(H,17,19)
InChIKeyXMGKTEZVKMQEIZ-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 61358971
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
methyl 4-[[2-(7-amino-2,3-dihydroindol-1-yl)acetyl]amino]butanoate
CID 114456249
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
CID 114456658
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-butylacetamide
CID 114524122
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-butylacetamide
CID 61485500
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide (CID 61485896) is 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide is CCCCNC(=O)CN1CCCc2cccc(N)c21.
What is the InChIKey of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide?
The InChIKey is XMGKTEZVKMQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-9-17-14(19)11-18-10-5-7-12-6-4-8-13(16)15(12)18/h4,6,8H,2-3,5,7,9-11,16H2,1H3,(H,17,19).
What are the key properties of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide?
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide has a molecular weight of 261.37 g/mol, XLogP of 1.94, 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-butylacetamide is sourced from PubChem (CID 61485896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).