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

C15H23N3O — CID 61357996

IUPAC2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C15H23N3O/c1-3-11(2)17-14(19)10-18-9-5-7-12-6-4-8-13(16)15(12)18/h4,6,8,11H,3,5,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyKCVJZVHGZIJDIA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.94
Rot. Bonds4

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

2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide (PubChem CID 61357996) 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-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
PubChem CID61357996
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCCc2cccc(N)c21
InChIInChI=1S/C15H23N3O/c1-3-11(2)17-14(19)10-18-9-5-7-12-6-4-8-13(16)15(12)18/h4,6,8,11H,3,5,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyKCVJZVHGZIJDIA-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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-methylacetamide
CID 61358971
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
CID 61485896
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 114456579
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
CID 114456658
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine
CID 114201164
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671
N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337162

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide (CID 61357996) is 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CCCc2cccc(N)c21.
What is the InChIKey of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide?
The InChIKey is KCVJZVHGZIJDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-11(2)17-14(19)10-18-9-5-7-12-6-4-8-13(16)15(12)18/h4,6,8,11H,3,5,7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide?
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide has a molecular weight of 261.37 g/mol, XLogP of 1.94, 4 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-butan-2-ylacetamide is sourced from PubChem (CID 61357996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).