5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid

C22H15NO2 — CID 6479598

IUPAC5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(/C=C/c3ccc4ccccc4n3)cccc2c1
InChIInChI=1S/C22H15NO2/c24-22(25)18-10-13-20-15(5-3-6-17(20)14-18)8-11-19-12-9-16-4-1-2-7-21(16)23-19/h1-14H,(H,24,25)/b11-8+
InChIKeyKGJVOWMNLZZKMF-DHZHZOJOSA-N
MW325.37 g/mol
LogP5.26
Rot. Bonds3

About 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid

5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid (PubChem CID 6479598) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid
PubChem CID6479598
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(/C=C/c3ccc4ccccc4n3)cccc2c1
InChIInChI=1S/C22H15NO2/c24-22(25)18-10-13-20-15(5-3-6-17(20)14-18)8-11-19-12-9-16-4-1-2-7-21(16)23-19/h1-14H,(H,24,25)/b11-8+
InChIKeyKGJVOWMNLZZKMF-DHZHZOJOSA-N
XLogP5.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid (CID 6479598) is 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid is O=C(O)c1ccc2c(/C=C/c3ccc4ccccc4n3)cccc2c1.
What is the InChIKey of 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid?
The InChIKey is KGJVOWMNLZZKMF-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H15NO2/c24-22(25)18-10-13-20-15(5-3-6-17(20)14-18)8-11-19-12-9-16-4-1-2-7-21(16)23-19/h1-14H,(H,24,25)/b11-8+.
What are the key properties of 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid?
5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 6479598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).