3-(2-phenylethenyl)quinoline-2-carboxylic acid

C18H13NO2 — CID 67859269

IUPAC3-(2-phenylethenyl)quinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1C=Cc1ccccc1
InChIInChI=1S/C18H13NO2/c20-18(21)17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)19-17/h1-12H,(H,20,21)
InChIKeyACIFFCYHJGNFFD-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.10
Rot. Bonds3

About 3-(2-phenylethenyl)quinoline-2-carboxylic acid

3-(2-phenylethenyl)quinoline-2-carboxylic acid (PubChem CID 67859269) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-phenylethenyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylethenyl)quinoline-2-carboxylic acid
PubChem CID67859269
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name3-(2-phenylethenyl)quinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1C=Cc1ccccc1
InChIInChI=1S/C18H13NO2/c20-18(21)17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)19-17/h1-12H,(H,20,21)
InChIKeyACIFFCYHJGNFFD-UHFFFAOYSA-N
XLogP4.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 8593
CID 8593
CID 57030
CID 57030
CID 10239
CID 10239
CID 7124
CID 7124
CID 71068
CID 71068
CID 120171
CID 120171
CID 124656
CID 124656
CID 3490694
CID 3490694
CID 69508
CID 69508
CID 169721
CID 169721
CID 1543
CID 1543
CID 74079
CID 74079

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)quinoline-2-carboxylic acid?
The IUPAC name of 3-(2-phenylethenyl)quinoline-2-carboxylic acid (CID 67859269) is 3-(2-phenylethenyl)quinoline-2-carboxylic acid.
What is the SMILES notation for 3-(2-phenylethenyl)quinoline-2-carboxylic acid?
The canonical SMILES for 3-(2-phenylethenyl)quinoline-2-carboxylic acid is O=C(O)c1nc2ccccc2cc1C=Cc1ccccc1.
What is the InChIKey of 3-(2-phenylethenyl)quinoline-2-carboxylic acid?
The InChIKey is ACIFFCYHJGNFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(21)17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)19-17/h1-12H,(H,20,21).
What are the key properties of 3-(2-phenylethenyl)quinoline-2-carboxylic acid?
3-(2-phenylethenyl)quinoline-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 67859269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).