5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile

C17H25N3O — CID 81115525

IUPAC5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile
SMILESCCCNC1CCCc2c1ccc(=O)n2CCCCC#N
InChIInChI=1S/C17H25N3O/c1-2-12-19-15-7-6-8-16-14(15)9-10-17(21)20(16)13-5-3-4-11-18/h9-10,15,19H,2-8,12-13H2,1H3
InChIKeyMCCVCVBCTBRONT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.92
Rot. Bonds7

About 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile

5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile (PubChem CID 81115525) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile
PubChem CID81115525
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile
SMILESCCCNC1CCCc2c1ccc(=O)n2CCCCC#N
InChIInChI=1S/C17H25N3O/c1-2-12-19-15-7-6-8-16-14(15)9-10-17(21)20(16)13-5-3-4-11-18/h9-10,15,19H,2-8,12-13H2,1H3
InChIKeyMCCVCVBCTBRONT-UHFFFAOYSA-N
XLogP2.92
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 104648401
1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 114525868
5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 107912995
5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 106454570
5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 81104358
5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 107912994
5-(2,6-dioxo-3-propylpyrimidin-1-yl)pentanenitrile
CID 63800672
N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide
CID 81104212
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-(2,3-dihydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 82850188
5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 15226997
5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 114528686

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile?
The IUPAC name of 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile (CID 81115525) is 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile?
The canonical SMILES for 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile is CCCNC1CCCc2c1ccc(=O)n2CCCCC#N.
What is the InChIKey of 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile?
The InChIKey is MCCVCVBCTBRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-12-19-15-7-6-8-16-14(15)9-10-17(21)20(16)13-5-3-4-11-18/h9-10,15,19H,2-8,12-13H2,1H3.
What are the key properties of 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile?
5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile has a molecular weight of 287.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-5-(propylamino)-5,6,7,8-tetrahydroquinolin-1-yl]pentanenitrile is sourced from PubChem (CID 81115525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).