2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

C19H14N4O — CID 3098269

IUPAC2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1ccc(=C(C#N)c2ccc(NCCO)cc2)cc1
InChIInChI=1S/C19H14N4O/c20-11-17(12-21)14-1-3-15(4-2-14)19(13-22)16-5-7-18(8-6-16)23-9-10-24/h1-8,23-24H,9-10H2
InChIKeyFEONQNGSADMQSJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.01
Rot. Bonds4

About 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile (PubChem CID 3098269) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
PubChem CID3098269
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1ccc(=C(C#N)c2ccc(NCCO)cc2)cc1
InChIInChI=1S/C19H14N4O/c20-11-17(12-21)14-1-3-15(4-2-14)19(13-22)16-5-7-18(8-6-16)23-9-10-24/h1-8,23-24H,9-10H2
InChIKeyFEONQNGSADMQSJ-UHFFFAOYSA-N
XLogP1.01
TPSA103.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile with MolForge

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Related Compounds

1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
CID 70882599
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
4-(2-hydroxyethylamino)benzenediazonium;zinc;dichloride
CID 159862843
2-[3-[(E)-2-[4-(2-hydroxyethylamino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 101240822
2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile
CID 100976409
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
2-[4-[cyano(hydroxy)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 11465516
2-(4-benzylanilino)ethanol
CID 91561467
2-[(6-chloro-3-pyridinyl)amino]ethanol
CID 118956304
2-chloro-4-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 61070703
(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate
CID 63221701
2,5-bis[4-(butylamino)phenyl]-3,4-bis(dicyanomethylidene)hexa-1,5-diene-1,1,6,6-tetracarbonitrile
CID 135067116

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The IUPAC name of 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile (CID 3098269) is 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile is N#CC(C#N)=c1ccc(=C(C#N)c2ccc(NCCO)cc2)cc1.
What is the InChIKey of 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The InChIKey is FEONQNGSADMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-11-17(12-21)14-1-3-15(4-2-14)19(13-22)16-5-7-18(8-6-16)23-9-10-24/h1-8,23-24H,9-10H2.
What are the key properties of 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile has a molecular weight of 314.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile is sourced from PubChem (CID 3098269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).