2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid

C19H24N2O5 — CID 119215641

IUPAC2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCN2C(=O)CCc3ccccc32)CCOCC1
InChIInChI=1S/C19H24N2O5/c22-16(20-19(13-18(24)25)8-11-26-12-9-19)7-10-21-15-4-2-1-3-14(15)5-6-17(21)23/h1-4H,5-13H2,(H,20,22)(H,24,25)
InChIKeyONUIDMZLCHRPSN-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.50
Rot. Bonds6

About 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid

2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid (PubChem CID 119215641) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
PubChem CID119215641
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCN2C(=O)CCc3ccccc32)CCOCC1
InChIInChI=1S/C19H24N2O5/c22-16(20-19(13-18(24)25)8-11-26-12-9-19)7-10-21-15-4-2-1-3-14(15)5-6-17(21)23/h1-4H,5-13H2,(H,20,22)(H,24,25)
InChIKeyONUIDMZLCHRPSN-UHFFFAOYSA-N
XLogP1.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid (CID 119215641) is 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)CCN2C(=O)CCc3ccccc32)CCOCC1.
What is the InChIKey of 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid?
The InChIKey is ONUIDMZLCHRPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c22-16(20-19(13-18(24)25)8-11-26-12-9-19)7-10-21-15-4-2-1-3-14(15)5-6-17(21)23/h1-4H,5-13H2,(H,20,22)(H,24,25).
What are the key properties of 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid?
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).