2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile

C13H13N5 — CID 169339249

IUPAC2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESCN1CCCc2ccc(NN=C(C#N)C#N)cc21
InChIInChI=1S/C13H13N5/c1-18-6-2-3-10-4-5-11(7-13(10)18)16-17-12(8-14)9-15/h4-5,7,16H,2-3,6H2,1H3
InChIKeyVGZYWTIAMQGJBK-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.88
Rot. Bonds2

About 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile

2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile (PubChem CID 169339249) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
PubChem CID169339249
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESCN1CCCc2ccc(NN=C(C#N)C#N)cc21
InChIInChI=1S/C13H13N5/c1-18-6-2-3-10-4-5-11(7-13(10)18)16-17-12(8-14)9-15/h4-5,7,16H,2-3,6H2,1H3
InChIKeyVGZYWTIAMQGJBK-UHFFFAOYSA-N
XLogP1.88
TPSA75.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169337813
2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
CID 169337871
2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
CID 169339335
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 110748659
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
CID 110729112
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile (CID 169339249) is 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile is CN1CCCc2ccc(NN=C(C#N)C#N)cc21.
What is the InChIKey of 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The InChIKey is VGZYWTIAMQGJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-6-2-3-10-4-5-11(7-13(10)18)16-17-12(8-14)9-15/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile has a molecular weight of 239.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).