6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide

C14H21N3O — CID 28785717

IUPAC6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCCCCNC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-2-3-8-16-14(18)17-9-4-5-11-10-12(15)6-7-13(11)17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeyULGPQFXUDXRFJP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds3

About 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide

6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 28785717) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID28785717
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCCCCNC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-2-3-8-16-14(18)17-9-4-5-11-10-12(15)6-7-13(11)17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeyULGPQFXUDXRFJP-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
CID 61485959
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161498
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 28785717) is 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide is CCCCNC(=O)N1CCCc2cc(N)ccc21.
What is the InChIKey of 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is ULGPQFXUDXRFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-8-16-14(18)17-9-4-5-11-10-12(15)6-7-13(11)17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18).
What are the key properties of 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 28785717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).