ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate

C32H33N2O4+ — CID 123759410

IUPACethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate
SMILESCCOC(=O)C[n+]1ccc(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21
InChIInChI=1S/C32H33N2O4/c1-3-38-32(35)23-33-17-16-25(26-8-4-6-10-29(26)33)14-12-24-13-15-31-28(22-24)27-9-5-7-11-30(27)34(31)18-19-37-21-20-36-2/h4-17,22H,3,18-21,23H2,1-2H3/q+1
InChIKeyNZWWQZIPVAJIIE-UHFFFAOYSA-N
MW509.63 g/mol
LogP5.63
Rot. Bonds11

About ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate

ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate (PubChem CID 123759410) has the molecular formula C32H33N2O4+ and a molecular weight of 509.63 g/mol. Its IUPAC name is ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate
PubChem CID123759410
Molecular FormulaC32H33N2O4+
Molecular Weight509.63 g/mol
Exact Mass509.24
IUPAC Nameethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate
SMILESCCOC(=O)C[n+]1ccc(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21
InChIInChI=1S/C32H33N2O4/c1-3-38-32(35)23-33-17-16-25(26-8-4-6-10-29(26)33)14-12-24-13-15-31-28(22-24)27-9-5-7-11-30(27)34(31)18-19-37-21-20-36-2/h4-17,22H,3,18-21,23H2,1-2H3/q+1
InChIKeyNZWWQZIPVAJIIE-UHFFFAOYSA-N
XLogP5.63
TPSA53.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate with MolForge

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Related Compounds

N-[3-[diethoxy(methoxy)silyl]propyl]-2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetamide
CID 140735460
3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole
CID 174674569
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]carbazole
CID 162646381
10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide
CID 174674482
9-methyl-3-[2-[1-(4-oxidoperoxysulfanylbutyl)quinolin-1-ium-4-yl]ethenyl]carbazole
CID 58598945
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-1-ium-1-yl]methanesulfonic acid
CID 158045334
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine
CID 138505633
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
ethyl 2-(3-propylbenzimidazol-1-ium-1-yl)acetate bromide
CID 14067546
2-[3-[(E)-2-quinolin-4-ylethenyl]carbazol-9-yl]ethanol
CID 90309951

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate (CID 123759410) is ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate is CCOC(=O)C[n+]1ccc(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21.
What is the InChIKey of ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate?
The InChIKey is NZWWQZIPVAJIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N2O4/c1-3-38-32(35)23-33-17-16-25(26-8-4-6-10-29(26)33)14-12-24-13-15-31-28(22-24)27-9-5-7-11-30(27)34(31)18-19-37-21-20-36-2/h4-17,22H,3,18-21,23H2,1-2H3/q+1.
What are the key properties of ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate?
ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate has a molecular weight of 509.63 g/mol, XLogP of 5.63, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate is sourced from PubChem (CID 123759410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).