2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate

C21H17BrNO3- — CID 7971530

IUPAC2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate
SMILESCCCOc1ccc(Br)cc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1
InChIInChI=1S/C21H18BrNO3/c1-2-11-26-20-10-8-15(22)12-14(20)7-9-16-13-18(21(24)25)17-5-3-4-6-19(17)23-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)/p-1/b9-7+
InChIKeyVTNCULOEGPJLCY-VQHVLOKHSA-M
MW411.28 g/mol
LogP4.32
Rot. Bonds6

About 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate

2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate (PubChem CID 7971530) has the molecular formula C21H17BrNO3- and a molecular weight of 411.28 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate
PubChem CID7971530
Molecular FormulaC21H17BrNO3-
Molecular Weight411.28 g/mol
Exact Mass410.04
IUPAC Name2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate
SMILESCCCOc1ccc(Br)cc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1
InChIInChI=1S/C21H18BrNO3/c1-2-11-26-20-10-8-15(22)12-14(20)7-9-16-13-18(21(24)25)17-5-3-4-6-19(17)23-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)/p-1/b9-7+
InChIKeyVTNCULOEGPJLCY-VQHVLOKHSA-M
XLogP4.32
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate 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

2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7895126
2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7963022
2-[(E)-2-(3-butoxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7971613
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
CID 9031188
2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
CID 7918900
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 8020196
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16777739
6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16772352
(4Z)-4-[(5-bromo-2-propoxyphenyl)methylidene]-2-ethyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 6212644
3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol
CID 79334203

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
The IUPAC name of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate (CID 7971530) is 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate.
What is the SMILES notation for 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
The canonical SMILES for 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate is CCCOc1ccc(Br)cc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1.
What is the InChIKey of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
The InChIKey is VTNCULOEGPJLCY-VQHVLOKHSA-M. The full InChI is InChI=1S/C21H18BrNO3/c1-2-11-26-20-10-8-15(22)12-14(20)7-9-16-13-18(21(24)25)17-5-3-4-6-19(17)23-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)/p-1/b9-7+.
What are the key properties of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate has a molecular weight of 411.28 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate is sourced from PubChem (CID 7971530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).