5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid

C20H18N2O3 — CID 2812816

IUPAC5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-19(12-16(13-20(24)25)14-6-2-1-3-7-14)22-18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2,(H,24,25)(H,21,22,23)
InChIKeyPLRALSVBRIVBCP-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.82
Rot. Bonds6

About 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid

5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid (PubChem CID 2812816) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid
PubChem CID2812816
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-19(12-16(13-20(24)25)14-6-2-1-3-7-14)22-18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2,(H,24,25)(H,21,22,23)
InChIKeyPLRALSVBRIVBCP-UHFFFAOYSA-N
XLogP3.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid (CID 2812816) is 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid is O=C(O)CC(CC(=O)Nc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid?
The InChIKey is PLRALSVBRIVBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(12-16(13-20(24)25)14-6-2-1-3-7-14)22-18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2,(H,24,25)(H,21,22,23).
What are the key properties of 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid?
5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid has a molecular weight of 334.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid is sourced from PubChem (CID 2812816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).