8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one

C20H22N2O3 — CID 155548071

IUPAC8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1
InChIInChI=1S/C20H22N2O3/c23-17-10-8-15(16-9-11-19(25)22-20(16)17)18(24)13-21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18,21,23-24H,4,7,12-13H2,(H,22,25)
InChIKeyUTODCRACBJDRGN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.49
Rot. Bonds7

About 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one (PubChem CID 155548071) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one
PubChem CID155548071
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1
InChIInChI=1S/C20H22N2O3/c23-17-10-8-15(16-9-11-19(25)22-20(16)17)18(24)13-21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18,21,23-24H,4,7,12-13H2,(H,22,25)
InChIKeyUTODCRACBJDRGN-UHFFFAOYSA-N
XLogP2.49
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one (CID 155548071) is 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one is O=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is UTODCRACBJDRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-17-10-8-15(16-9-11-19(25)22-20(16)17)18(24)13-21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18,21,23-24H,4,7,12-13H2,(H,22,25).
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 155548071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).