[(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium

C18H27N4+ — CID 143569120

IUPAC[(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium
SMILESC/C=C\C=C\[NH2+]/C(C)=N/N(C)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H26N4/c1-5-6-7-12-19-15(2)20-22(4)17-10-11-18-16(14-17)9-8-13-21(18)3/h5-7,10-12,14H,8-9,13H2,1-4H3,(H,19,20)/p+1/b6-5-,12-7+
InChIKeyWCRHILDIJDLMGX-UNKATYBDSA-O
MW299.44 g/mol
LogP2.49
Rot. Bonds4

About [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium

[(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium (PubChem CID 143569120) has the molecular formula C18H27N4+ and a molecular weight of 299.44 g/mol. Its IUPAC name is [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium.

Molecular Properties

Compound Name[(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium
PubChem CID143569120
Molecular FormulaC18H27N4+
Molecular Weight299.44 g/mol
Exact Mass299.22
IUPAC Name[(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium
SMILESC/C=C\C=C\[NH2+]/C(C)=N/N(C)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H26N4/c1-5-6-7-12-19-15(2)20-22(4)17-10-11-18-16(14-17)9-8-13-21(18)3/h5-7,10-12,14H,8-9,13H2,1-4H3,(H,19,20)/p+1/b6-5-,12-7+
InChIKeyWCRHILDIJDLMGX-UNKATYBDSA-O
XLogP2.49
TPSA35.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium with MolForge

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Related Compounds

[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium
CID 143565726
methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate
CID 76699729
ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
CID 144840756
N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide
CID 145091248
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoic acid
CID 57367649
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine
CID 79329028
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
CID 82538053
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422

Frequently Asked Questions

What is the IUPAC name of [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium?
The IUPAC name of [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium (CID 143569120) is [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium.
What is the SMILES notation for [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium?
The canonical SMILES for [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium is C/C=C\C=C\[NH2+]/C(C)=N/N(C)c1ccc2c(c1)CCCN2C.
What is the InChIKey of [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium?
The InChIKey is WCRHILDIJDLMGX-UNKATYBDSA-O. The full InChI is InChI=1S/C18H26N4/c1-5-6-7-12-19-15(2)20-22(4)17-10-11-18-16(14-17)9-8-13-21(18)3/h5-7,10-12,14H,8-9,13H2,1-4H3,(H,19,20)/p+1/b6-5-,12-7+.
What are the key properties of [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium?
[(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium has a molecular weight of 299.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-C-methyl-N-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]carbonimidoyl]-[(1E,3Z)-penta-1,3-dienyl]azanium is sourced from PubChem (CID 143569120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).