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

C30H31N2O3+ — CID 57326948

IUPAC2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol
SMILESCOCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21
InChIInChI=1S/C30H31N2O3/c1-34-20-21-35-19-17-32-29-9-5-3-7-26(29)27-22-23(11-13-30(27)32)10-12-24-14-15-31(16-18-33)28-8-4-2-6-25(24)28/h2-15,22,33H,16-21H2,1H3/q+1
InChIKeyNOHHAZVGDGBZSN-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.06
Rot. Bonds10

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

2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol (PubChem CID 57326948) has the molecular formula C30H31N2O3+ and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol
PubChem CID57326948
Molecular FormulaC30H31N2O3+
Molecular Weight467.59 g/mol
Exact Mass467.23
IUPAC Name2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol
SMILESCOCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21
InChIInChI=1S/C30H31N2O3/c1-34-20-21-35-19-17-32-29-9-5-3-7-26(29)27-22-23(11-13-30(27)32)10-12-24-14-15-31(16-18-33)28-8-4-2-6-25(24)28/h2-15,22,33H,16-21H2,1H3/q+1
InChIKeyNOHHAZVGDGBZSN-UHFFFAOYSA-N
XLogP5.06
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

9-Methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
CID 135393502
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-(5-Isoquinolin-4-ylindol-1-yl)ethanone
CID 73442767
4-[1-(1-Methylindol-5-yl)ethenyl]quinoline-2-carbonitrile
CID 155541275
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
Ellipticine, 6-methyl
CID 97109
2,5-Dimethyl-3-[8-(trifluoromethyl)-4-quinolinyl]-1H-indole-1-acetic acid
CID 10046404
2,5-Dimethyl-3-(4-quinolinyl)-1h-indole-1-acetic acid
CID 10065219
2-(3-(8-fluoroquinolin-4-yl)-2,5-dimethyl-1H-indol-1-yl)acetic acid
CID 10066327
(2,5-Dimethyl-3-(8-methyl-4-quinolinyl)-1H-indol-1-yl)acetic acid
CID 10337564
2-(2,5-dimethyl-3-(7-(trifluoromethyl)quinolin-4-yl)-1H-indol-1-yl)acetic acid
CID 10340798
2-(3-(8-cyanoquinolin-4-yl)-2,5-dimethyl-1H-indol-1-yl)acetic acid
CID 10428273

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol (CID 57326948) is 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol is COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21.
What is the InChIKey of 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol?
The InChIKey is NOHHAZVGDGBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2O3/c1-34-20-21-35-19-17-32-29-9-5-3-7-26(29)27-22-23(11-13-30(27)32)10-12-24-14-15-31(16-18-33)28-8-4-2-6-25(24)28/h2-15,22,33H,16-21H2,1H3/q+1.
What are the key properties of 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol?
2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol has a molecular weight of 467.59 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol is sourced from PubChem (CID 57326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).