3-[(Z)-1-methoxy-2-phenylethenyl]quinoline

C18H15NO — CID 101384122

IUPAC3-[(Z)-1-methoxy-2-phenylethenyl]quinoline
SMILESCO/C(=C\c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C18H15NO/c1-20-18(11-14-7-3-2-4-8-14)16-12-15-9-5-6-10-17(15)19-13-16/h2-13H,1H3/b18-11-
InChIKeyLQXQCYXKOMYOBQ-WQRHYEAKSA-N
MW261.32 g/mol
LogP4.38
Rot. Bonds3

About 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline

3-[(Z)-1-methoxy-2-phenylethenyl]quinoline (PubChem CID 101384122) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name3-[(Z)-1-methoxy-2-phenylethenyl]quinoline
PubChem CID101384122
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name3-[(Z)-1-methoxy-2-phenylethenyl]quinoline
SMILESCO/C(=C\c1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C18H15NO/c1-20-18(11-14-7-3-2-4-8-14)16-12-15-9-5-6-10-17(15)19-13-16/h2-13H,1H3/b18-11-
InChIKeyLQXQCYXKOMYOBQ-WQRHYEAKSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
3-buta-2,3-dien-2-ylquinoline
CID 142698534
1-quinolin-3-ylethene-1,2-dithiol
CID 72543184
3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline
CID 172774821
quinoline-3-carboxylate
CID 4608508
2,2-dimethyl-1-quinolin-3-ylpropane-1-thione
CID 134309815
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
bis(quinoline-3-carbonyl) (E)-but-2-enedioate
CID 174526131
(E)-2-quinolin-3-ylbut-2-enamide
CID 174944026

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline?
The IUPAC name of 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline (CID 101384122) is 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline.
What is the SMILES notation for 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline?
The canonical SMILES for 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline is CO/C(=C\c1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline?
The InChIKey is LQXQCYXKOMYOBQ-WQRHYEAKSA-N. The full InChI is InChI=1S/C18H15NO/c1-20-18(11-14-7-3-2-4-8-14)16-12-15-9-5-6-10-17(15)19-13-16/h2-13H,1H3/b18-11-.
What are the key properties of 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline?
3-[(Z)-1-methoxy-2-phenylethenyl]quinoline has a molecular weight of 261.32 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-methoxy-2-phenylethenyl]quinoline is sourced from PubChem (CID 101384122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).