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

C21H18NO3- — CID 7895126

IUPAC2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
SMILESCCCOc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C21H19NO3/c1-2-13-25-17-11-8-15(9-12-17)7-10-16-14-19(21(23)24)18-5-3-4-6-20(18)22-16/h3-12,14H,2,13H2,1H3,(H,23,24)/p-1/b10-7+
InChIKeySMTLQXNYQHAIRQ-JXMROGBWSA-M
MW332.38 g/mol
LogP3.56
Rot. Bonds6

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

2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate (PubChem CID 7895126) has the molecular formula C21H18NO3- and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
PubChem CID7895126
Molecular FormulaC21H18NO3-
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
SMILESCCCOc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C21H19NO3/c1-2-13-25-17-11-8-15(9-12-17)7-10-16-14-19(21(23)24)18-5-3-4-6-20(18)22-16/h3-12,14H,2,13H2,1H3,(H,23,24)/p-1/b10-7+
InChIKeySMTLQXNYQHAIRQ-JXMROGBWSA-M
XLogP3.56
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]quinoline-4-carboxylate
CID 7971530
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
CID 7988327
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 8020196
2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
CID 9031188
2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3875764
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
CID 7918900
3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
CID 52614181
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
The IUPAC name of 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate (CID 7895126) is 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate.
What is the SMILES notation for 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
The canonical SMILES for 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate is CCCOc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1.
What is the InChIKey of 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
The InChIKey is SMTLQXNYQHAIRQ-JXMROGBWSA-M. The full InChI is InChI=1S/C21H19NO3/c1-2-13-25-17-11-8-15(9-12-17)7-10-16-14-19(21(23)24)18-5-3-4-6-20(18)22-16/h3-12,14H,2,13H2,1H3,(H,23,24)/p-1/b10-7+.
What are the key properties of 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate?
2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate is sourced from PubChem (CID 7895126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).