4-hydroxy-1-methyl-3-nonylquinolin-2-one

C19H27NO2 — CID 54687613

IUPAC4-hydroxy-1-methyl-3-nonylquinolin-2-one
SMILESCCCCCCCCCc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-13-16-18(21)15-12-10-11-14-17(15)20(2)19(16)22/h10-12,14,21H,3-9,13H2,1-2H3
InChIKeyRLBUSDKREGTDEY-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.54
Rot. Bonds8

About 4-hydroxy-1-methyl-3-nonylquinolin-2-one

4-hydroxy-1-methyl-3-nonylquinolin-2-one (PubChem CID 54687613) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-nonylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-nonylquinolin-2-one
PubChem CID54687613
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name4-hydroxy-1-methyl-3-nonylquinolin-2-one
SMILESCCCCCCCCCc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-13-16-18(21)15-12-10-11-14-17(15)20(2)19(16)22/h10-12,14,21H,3-9,13H2,1-2H3
InChIKeyRLBUSDKREGTDEY-UHFFFAOYSA-N
XLogP4.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-hydroxy-1-methyl-3-nonylquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-nonylquinolin-2-one (CID 54687613) is 4-hydroxy-1-methyl-3-nonylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-nonylquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-nonylquinolin-2-one is CCCCCCCCCc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-nonylquinolin-2-one?
The InChIKey is RLBUSDKREGTDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-13-16-18(21)15-12-10-11-14-17(15)20(2)19(16)22/h10-12,14,21H,3-9,13H2,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-3-nonylquinolin-2-one?
4-hydroxy-1-methyl-3-nonylquinolin-2-one has a molecular weight of 301.43 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-nonylquinolin-2-one is sourced from PubChem (CID 54687613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).