8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile

C18H17N5 — CID 57076882

IUPAC8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile
SMILESCN(C)c1ccc(Nc2c(C#N)cnc3c(N)cccc23)cc1
InChIInChI=1S/C18H17N5/c1-23(2)14-8-6-13(7-9-14)22-17-12(10-19)11-21-18-15(17)4-3-5-16(18)20/h3-9,11H,20H2,1-2H3,(H,21,22)
InChIKeyDKCRQYNOLIDZBN-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.50
Rot. Bonds3

About 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile

8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile (PubChem CID 57076882) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile
PubChem CID57076882
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile
SMILESCN(C)c1ccc(Nc2c(C#N)cnc3c(N)cccc23)cc1
InChIInChI=1S/C18H17N5/c1-23(2)14-8-6-13(7-9-14)22-17-12(10-19)11-21-18-15(17)4-3-5-16(18)20/h3-9,11H,20H2,1-2H3,(H,21,22)
InChIKeyDKCRQYNOLIDZBN-UHFFFAOYSA-N
XLogP3.50
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile
CID 22238973
4-(4-phenoxyanilino)benzo[h]quinoline-3-carbonitrile
CID 69372675
4-(1,3-benzodioxol-5-ylamino)-8-fluoroquinoline-3-carbonitrile
CID 50768617
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
6-amino-4-(3-bromoanilino)-8-[(dimethylamino)methyl]quinoline-3-carbonitrile
CID 10135352
8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
CID 82242893
8-amino-4-(3-bromoanilino)-[1]benzothiolo[2,3-b]pyridine-3-carbonitrile
CID 69394792
4-(3-bromoanilino)-6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,7-naphthyridine-3-carbonitrile
CID 18548984
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile?
The IUPAC name of 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile (CID 57076882) is 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile.
What is the SMILES notation for 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile?
The canonical SMILES for 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile is CN(C)c1ccc(Nc2c(C#N)cnc3c(N)cccc23)cc1.
What is the InChIKey of 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile?
The InChIKey is DKCRQYNOLIDZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-23(2)14-8-6-13(7-9-14)22-17-12(10-19)11-21-18-15(17)4-3-5-16(18)20/h3-9,11H,20H2,1-2H3,(H,21,22).
What are the key properties of 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile?
8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile is sourced from PubChem (CID 57076882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).