2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid

C20H17NO2 — CID 141349629

IUPAC2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid
SMILESC=CCc1c(-c2ccccc2)nc2ccccc2c1CC(=O)O
InChIInChI=1S/C20H17NO2/c1-2-8-16-17(13-19(22)23)15-11-6-7-12-18(15)21-20(16)14-9-4-3-5-10-14/h2-7,9-12H,1,8,13H2,(H,22,23)
InChIKeyMSHCTUWLIXKYHQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid

2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid (PubChem CID 141349629) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid
PubChem CID141349629
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid
SMILESC=CCc1c(-c2ccccc2)nc2ccccc2c1CC(=O)O
InChIInChI=1S/C20H17NO2/c1-2-8-16-17(13-19(22)23)15-11-6-7-12-18(15)21-20(16)14-9-4-3-5-10-14/h2-7,9-12H,1,8,13H2,(H,22,23)
InChIKeyMSHCTUWLIXKYHQ-UHFFFAOYSA-N
XLogP4.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid (CID 141349629) is 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid is C=CCc1c(-c2ccccc2)nc2ccccc2c1CC(=O)O.
What is the InChIKey of 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid?
The InChIKey is MSHCTUWLIXKYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-8-16-17(13-19(22)23)15-11-6-7-12-18(15)21-20(16)14-9-4-3-5-10-14/h2-7,9-12H,1,8,13H2,(H,22,23).
What are the key properties of 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid?
2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid has a molecular weight of 303.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid is sourced from PubChem (CID 141349629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).