8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one

C21H24N2O3 — CID 155550964

IUPAC8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1
InChIInChI=1S/C21H24N2O3/c24-18-11-9-16(17-10-12-20(26)23-21(17)18)19(25)14-22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,19,22,24-25H,4-5,8,13-14H2,(H,23,26)
InChIKeyXTSQXAZWPKNSEM-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.88
Rot. Bonds8

About 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one (PubChem CID 155550964) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one
PubChem CID155550964
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1
InChIInChI=1S/C21H24N2O3/c24-18-11-9-16(17-10-12-20(26)23-21(17)18)19(25)14-22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,19,22,24-25H,4-5,8,13-14H2,(H,23,26)
InChIKeyXTSQXAZWPKNSEM-UHFFFAOYSA-N
XLogP2.88
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.88
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-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one (CID 155550964) is 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one is O=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is XTSQXAZWPKNSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-18-11-9-16(17-10-12-20(26)23-21(17)18)19(25)14-22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,19,22,24-25H,4-5,8,13-14H2,(H,23,26).
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[1-hydroxy-2-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.88, 8 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-(4-phenylbutylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 155550964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).