1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium

C23H25N2+ — CID 4069411

IUPAC1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium
SMILESCC[n+]1c(C=C2C=CC3C=CC=CC3N2C)ccc2cc(C)ccc21
InChIInChI=1S/C23H25N2/c1-4-25-21(13-11-19-15-17(2)9-14-23(19)25)16-20-12-10-18-7-5-6-8-22(18)24(20)3/h5-16,18,22H,4H2,1-3H3/q+1
InChIKeyXMKOIADQURDREY-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.41
Rot. Bonds2

About 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium

1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium (PubChem CID 4069411) has the molecular formula C23H25N2+ and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium.

Molecular Properties

Compound Name1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium
PubChem CID4069411
Molecular FormulaC23H25N2+
Molecular Weight329.47 g/mol
Exact Mass329.20
IUPAC Name1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium
SMILESCC[n+]1c(C=C2C=CC3C=CC=CC3N2C)ccc2cc(C)ccc21
InChIInChI=1S/C23H25N2/c1-4-25-21(13-11-19-15-17(2)9-14-23(19)25)16-20-12-10-18-7-5-6-8-22(18)24(20)3/h5-16,18,22H,4H2,1-3H3/q+1
InChIKeyXMKOIADQURDREY-UHFFFAOYSA-N
XLogP4.41
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[(Z)-(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium chloride
CID 71299279
(2E)-1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-6-methylquinoline
CID 2192568
1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-6-methylquinoline iodide
CID 171149843
3-[2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-7-methylquinolin-1-yl]propane-1-sulfonic acid
CID 3146441
(2Z)-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-fluoro-3-methyl-1,3-benzoxazole
CID 134118887
(2E)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazole iodide
CID 6441922
2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1-methylthieno[3,2-e][1,3]benzothiazole
CID 3149295
1-ethyl-6-methyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium
CID 3446881
(2Z)-5-cyclohexyl-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole
CID 58601270
1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium;hydroiodide
CID 126960352
2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5,6-dimethyl-3-[2-(trioxidanylsulfanyl)ethyl]thieno[2,3-d][1,3]thiazole
CID 76636027
2-[2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-1-ethyl-6-methylquinolin-1-ium iodide
CID 69227932

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium?
The IUPAC name of 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium (CID 4069411) is 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium.
What is the SMILES notation for 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium?
The canonical SMILES for 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium is CC[n+]1c(C=C2C=CC3C=CC=CC3N2C)ccc2cc(C)ccc21.
What is the InChIKey of 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium?
The InChIKey is XMKOIADQURDREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2/c1-4-25-21(13-11-19-15-17(2)9-14-23(19)25)16-20-12-10-18-7-5-6-8-22(18)24(20)3/h5-16,18,22H,4H2,1-3H3/q+1.
What are the key properties of 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium?
1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium has a molecular weight of 329.47 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-2-[(1-methyl-4a,8a-dihydroquinolin-2-ylidene)methyl]quinolin-1-ium is sourced from PubChem (CID 4069411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).