2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid

C24H23NO2 — CID 21405675

IUPAC2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid
SMILESCC(C(=O)O)(c1ccccc1)C1CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-24(23(26)27,18-10-4-2-5-11-18)21-16-17-25(19-12-6-3-7-13-19)22-15-9-8-14-20(21)22/h2-15,21H,16-17H2,1H3,(H,26,27)
InChIKeyMIMXNRTYXRVTHT-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.35
Rot. Bonds4

About 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid

2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid (PubChem CID 21405675) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid
PubChem CID21405675
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid
SMILESCC(C(=O)O)(c1ccccc1)C1CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-24(23(26)27,18-10-4-2-5-11-18)21-16-17-25(19-12-6-3-7-13-19)22-15-9-8-14-20(21)22/h2-15,21H,16-17H2,1H3,(H,26,27)
InChIKeyMIMXNRTYXRVTHT-UHFFFAOYSA-N
XLogP5.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid?
The IUPAC name of 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid (CID 21405675) is 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid?
The canonical SMILES for 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid is CC(C(=O)O)(c1ccccc1)C1CCN(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid?
The InChIKey is MIMXNRTYXRVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-24(23(26)27,18-10-4-2-5-11-18)21-16-17-25(19-12-6-3-7-13-19)22-15-9-8-14-20(21)22/h2-15,21H,16-17H2,1H3,(H,26,27).
What are the key properties of 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid?
2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid has a molecular weight of 357.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid is sourced from PubChem (CID 21405675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).