4-hydroxy-3-nonyl-1H-quinolin-2-one

C18H25NO2 — CID 54680837

IUPAC4-hydroxy-3-nonyl-1H-quinolin-2-one
SMILESCCCCCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-12-15-17(20)14-11-9-10-13-16(14)19-18(15)21/h9-11,13H,2-8,12H2,1H3,(H2,19,20,21)
InChIKeyXEACNRPMIOZISV-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.53
Rot. Bonds8

About 4-hydroxy-3-nonyl-1H-quinolin-2-one

4-hydroxy-3-nonyl-1H-quinolin-2-one (PubChem CID 54680837) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-hydroxy-3-nonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-nonyl-1H-quinolin-2-one
PubChem CID54680837
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-hydroxy-3-nonyl-1H-quinolin-2-one
SMILESCCCCCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-12-15-17(20)14-11-9-10-13-16(14)19-18(15)21/h9-11,13H,2-8,12H2,1H3,(H2,19,20,21)
InChIKeyXEACNRPMIOZISV-UHFFFAOYSA-N
XLogP4.53
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-nonyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nonyl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-nonyl-1H-quinolin-2-one (CID 54680837) is 4-hydroxy-3-nonyl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-nonyl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-nonyl-1H-quinolin-2-one is CCCCCCCCCc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-nonyl-1H-quinolin-2-one?
The InChIKey is XEACNRPMIOZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-12-15-17(20)14-11-9-10-13-16(14)19-18(15)21/h9-11,13H,2-8,12H2,1H3,(H2,19,20,21).
What are the key properties of 4-hydroxy-3-nonyl-1H-quinolin-2-one?
4-hydroxy-3-nonyl-1H-quinolin-2-one has a molecular weight of 287.40 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nonyl-1H-quinolin-2-one is sourced from PubChem (CID 54680837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).