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

C15H19NO2 — CID 54684099

IUPAC3-hexyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO2/c1-2-3-4-5-9-12-14(17)11-8-6-7-10-13(11)16-15(12)18/h6-8,10H,2-5,9H2,1H3,(H2,16,17,18)
InChIKeyBZEGLZNTZXNBCO-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.36
Rot. Bonds5

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

3-hexyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54684099) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-hexyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-hexyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54684099
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-hexyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO2/c1-2-3-4-5-9-12-14(17)11-8-6-7-10-13(11)16-15(12)18/h6-8,10H,2-5,9H2,1H3,(H2,16,17,18)
InChIKeyBZEGLZNTZXNBCO-UHFFFAOYSA-N
XLogP3.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-hexyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-hexyl-4-hydroxy-1H-quinolin-2-one (CID 54684099) is 3-hexyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-hexyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-hexyl-4-hydroxy-1H-quinolin-2-one is CCCCCCc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-hexyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is BZEGLZNTZXNBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-4-5-9-12-14(17)11-8-6-7-10-13(11)16-15(12)18/h6-8,10H,2-5,9H2,1H3,(H2,16,17,18).
What are the key properties of 3-hexyl-4-hydroxy-1H-quinolin-2-one?
3-hexyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54684099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).