2-[(E)-2-phenylethenyl]quinoline;sulfuric acid

C17H15NO4S — CID 75366284

IUPAC2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
SMILESC(=C/c1ccc2ccccc2n1)\c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C17H13N.H2O4S/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;1-5(2,3)4/h1-13H;(H2,1,2,3,4)/b12-10+;
InChIKeyZNEBEFUAUXNSNE-VHPXAQPISA-N
MW329.38 g/mol
LogP3.75
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid

2-[(E)-2-phenylethenyl]quinoline;sulfuric acid (PubChem CID 75366284) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
PubChem CID75366284
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
SMILESC(=C/c1ccc2ccccc2n1)\c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C17H13N.H2O4S/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;1-5(2,3)4/h1-13H;(H2,1,2,3,4)/b12-10+;
InChIKeyZNEBEFUAUXNSNE-VHPXAQPISA-N
XLogP3.75
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
stilbene;sulfuric acid
CID 67612140
2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
CID 2750433
3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
CID 52614181
2-[N-methyl-4-[(E)-2-quinolin-2-ylethenyl]anilino]propanoic acid
CID 20709092
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
2-propan-2-yl-5-(2-quinolin-2-ylethenyl)benzene-1,3-diol
CID 175134367
2-(2-phenylethenyl)quinolin-6-amine
CID 54111985
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780
2-[(E)-2-phenylethenyl]quinolin-6-amine
CID 18506496

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid?
The IUPAC name of 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid (CID 75366284) is 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid?
The canonical SMILES for 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid is C(=C/c1ccc2ccccc2n1)\c1ccccc1.O=S(=O)(O)O.
What is the InChIKey of 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid?
The InChIKey is ZNEBEFUAUXNSNE-VHPXAQPISA-N. The full InChI is InChI=1S/C17H13N.H2O4S/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16;1-5(2,3)4/h1-13H;(H2,1,2,3,4)/b12-10+;.
What are the key properties of 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid?
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid has a molecular weight of 329.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]quinoline;sulfuric acid is sourced from PubChem (CID 75366284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).