[[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium

C14H19N4+ — CID 6344295

IUPAC[[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium
SMILESCN(C)c1cc(NC=[N+](C)C)c2ccccc2n1
InChIInChI=1S/C14H18N4/c1-17(2)10-15-13-9-14(18(3)4)16-12-8-6-5-7-11(12)13/h5-10H,1-4H3/p+1
InChIKeyLPTSFECPEOYFKO-UHFFFAOYSA-O
MW243.33 g/mol
LogP2.01
Rot. Bonds3

About [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium

[[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium (PubChem CID 6344295) has the molecular formula C14H19N4+ and a molecular weight of 243.33 g/mol. Its IUPAC name is [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium.

Molecular Properties

Compound Name[[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium
PubChem CID6344295
Molecular FormulaC14H19N4+
Molecular Weight243.33 g/mol
Exact Mass243.16
IUPAC Name[[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium
SMILESCN(C)c1cc(NC=[N+](C)C)c2ccccc2n1
InChIInChI=1S/C14H18N4/c1-17(2)10-15-13-9-14(18(3)4)16-12-8-6-5-7-11(12)13/h5-10H,1-4H3/p+1
InChIKeyLPTSFECPEOYFKO-UHFFFAOYSA-O
XLogP2.01
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,4-N-trimethylquinoline-2,4-diamine
CID 14338127
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde
CID 22282606
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
CID 3650696
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
N,N-dimethyl-4,6-diphenylquinolin-2-amine
CID 164669718
N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid
CID 16682709
5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
CID 133327918
N,N-dimethyl-4-(1,3-thiazol-5-yl)quinolin-2-amine
CID 170654991

Frequently Asked Questions

What is the IUPAC name of [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium?
The IUPAC name of [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium (CID 6344295) is [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium.
What is the SMILES notation for [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium?
The canonical SMILES for [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium is CN(C)c1cc(NC=[N+](C)C)c2ccccc2n1.
What is the InChIKey of [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium?
The InChIKey is LPTSFECPEOYFKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N4/c1-17(2)10-15-13-9-14(18(3)4)16-12-8-6-5-7-11(12)13/h5-10H,1-4H3/p+1.
What are the key properties of [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium?
[[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium has a molecular weight of 243.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(dimethylamino)quinolin-4-yl]amino]methylidene-dimethylazanium is sourced from PubChem (CID 6344295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).