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

C14H18N2O3 — CID 100988088

IUPAC8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
SMILESCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C14H18N2O3/c1-2-7-15-8-12(18)9-3-5-11(17)14-10(9)4-6-13(19)16-14/h3-6,12,15,17-18H,2,7-8H2,1H3,(H,16,19)
InChIKeyHGGFIZAOSJTQTF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds5

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

8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one (PubChem CID 100988088) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
PubChem CID100988088
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
SMILESCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C14H18N2O3/c1-2-7-15-8-12(18)9-3-5-11(17)14-10(9)4-6-13(19)16-14/h3-6,12,15,17-18H,2,7-8H2,1H3,(H,16,19)
InChIKeyHGGFIZAOSJTQTF-UHFFFAOYSA-N
XLogP1.27
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
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-(propylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one (CID 100988088) is 8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one is CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is HGGFIZAOSJTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-7-15-8-12(18)9-3-5-11(17)14-10(9)4-6-13(19)16-14/h3-6,12,15,17-18H,2,7-8H2,1H3,(H,16,19).
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.27, 5 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-(propylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 100988088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).