2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile

C15H10N4O — CID 175127901

IUPAC2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile
SMILESCOc1ccc2c(c1)C(=C(C#N)C#N)C=C(C)N2C#N
InChIInChI=1S/C15H10N4O/c1-10-5-13(11(7-16)8-17)14-6-12(20-2)3-4-15(14)19(10)9-18/h3-6H,1-2H3
InChIKeyDKDGWLNXDPGXNV-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.70
Rot. Bonds1

About 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile

2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile (PubChem CID 175127901) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile
PubChem CID175127901
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile
SMILESCOc1ccc2c(c1)C(=C(C#N)C#N)C=C(C)N2C#N
InChIInChI=1S/C15H10N4O/c1-10-5-13(11(7-16)8-17)14-6-12(20-2)3-4-15(14)19(10)9-18/h3-6H,1-2H3
InChIKeyDKDGWLNXDPGXNV-UHFFFAOYSA-N
XLogP2.70
TPSA83.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-(4-methylphenyl)-1,4-benzothiazine-4-carbonitrile
CID 102503278
ethyl (3Z)-3-(1-cyano-2-ethoxy-2-oxoethylidene)-2-hydroxy-5-methoxy-2H-indole-1-carboxylate
CID 11782936
(3E)-2,5-bis(4-methoxyphenyl)hexa-1,3,5-triene-1,1,6,6-tetracarbonitrile
CID 102136285
2-[2,7-bis(4-methoxyanilino)fluoren-9-ylidene]propanedinitrile
CID 102227844
2-(2,4-dimethoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168610584
2-[(1S,8S)-6-(dicyanomethylidene)-11-methoxy-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),10,12,15,17,19-octaenylidene]propanedinitrile
CID 7055037
2-(3-methylperoxyinden-1-ylidene)propanedinitrile
CID 143158103
cyanic acid;4-methoxyphenol
CID 172812844
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methylidene]propanedinitrile
CID 134097396
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
(Z)-2-isocyano-3-(4-methoxy-2-methylphenyl)prop-2-enenitrile
CID 159435975

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile?
The IUPAC name of 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile (CID 175127901) is 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile.
What is the SMILES notation for 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile?
The canonical SMILES for 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile is COc1ccc2c(c1)C(=C(C#N)C#N)C=C(C)N2C#N.
What is the InChIKey of 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile?
The InChIKey is DKDGWLNXDPGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c1-10-5-13(11(7-16)8-17)14-6-12(20-2)3-4-15(14)19(10)9-18/h3-6H,1-2H3.
What are the key properties of 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile?
2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile has a molecular weight of 262.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyano-6-methoxy-2-methylquinolin-4-ylidene)propanedinitrile is sourced from PubChem (CID 175127901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).