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

C15H15N5O — CID 169337813

IUPAC2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESCCC(=O)N1CCCc2ccc(NN=C(C#N)C#N)cc21
InChIInChI=1S/C15H15N5O/c1-2-15(21)20-7-3-4-11-5-6-12(8-14(11)20)18-19-13(9-16)10-17/h5-6,8,18H,2-4,7H2,1H3
InChIKeyWNCLVKLBBLNJJI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.19
Rot. Bonds3

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

2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile (PubChem CID 169337813) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
PubChem CID169337813
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESCCC(=O)N1CCCc2ccc(NN=C(C#N)C#N)cc21
InChIInChI=1S/C15H15N5O/c1-2-15(21)20-7-3-4-11-5-6-12(8-14(11)20)18-19-13(9-16)10-17/h5-6,8,18H,2-4,7H2,1H3
InChIKeyWNCLVKLBBLNJJI-UHFFFAOYSA-N
XLogP2.19
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.19
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-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
CID 169337871
2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169339249
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27604546
2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
CID 169339335
1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82263716
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea
CID 30372226
3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27604624

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile (CID 169337813) is 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile is CCC(=O)N1CCCc2ccc(NN=C(C#N)C#N)cc21.
What is the InChIKey of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The InChIKey is WNCLVKLBBLNJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-15(21)20-7-3-4-11-5-6-12(8-14(11)20)18-19-13(9-16)10-17/h5-6,8,18H,2-4,7H2,1H3.
What are the key properties of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile has a molecular weight of 281.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).