2-[4-(quinolin-2-ylamino)phenyl]propanoic acid

C18H16N2O2 — CID 13054261

IUPAC2-[4-(quinolin-2-ylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O2/c1-12(18(21)22)13-6-9-15(10-7-13)19-17-11-8-14-4-2-3-5-16(14)20-17/h2-12H,1H3,(H,19,20)(H,21,22)
InChIKeyPNRFUVZZLREITI-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.17
Rot. Bonds4

About 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid

2-[4-(quinolin-2-ylamino)phenyl]propanoic acid (PubChem CID 13054261) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(quinolin-2-ylamino)phenyl]propanoic acid
PubChem CID13054261
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[4-(quinolin-2-ylamino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O2/c1-12(18(21)22)13-6-9-15(10-7-13)19-17-11-8-14-4-2-3-5-16(14)20-17/h2-12H,1H3,(H,19,20)(H,21,22)
InChIKeyPNRFUVZZLREITI-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid?
The IUPAC name of 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid (CID 13054261) is 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid is CC(C(=O)O)c1ccc(Nc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid?
The InChIKey is PNRFUVZZLREITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(18(21)22)13-6-9-15(10-7-13)19-17-11-8-14-4-2-3-5-16(14)20-17/h2-12H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid?
2-[4-(quinolin-2-ylamino)phenyl]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinolin-2-ylamino)phenyl]propanoic acid is sourced from PubChem (CID 13054261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).