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

C16H21NO2 — CID 54679563

IUPAC3-heptyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-10-13-15(18)12-9-7-8-11-14(12)17-16(13)19/h7-9,11H,2-6,10H2,1H3,(H2,17,18,19)
InChIKeyNPJSBHRVMHKFAJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.75
Rot. Bonds6

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

3-heptyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54679563) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-heptyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-heptyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54679563
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-heptyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-10-13-15(18)12-9-7-8-11-14(12)17-16(13)19/h7-9,11H,2-6,10H2,1H3,(H2,17,18,19)
InChIKeyNPJSBHRVMHKFAJ-UHFFFAOYSA-N
XLogP3.75
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.75
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-heptyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-heptyl-4-hydroxy-1H-quinolin-2-one (CID 54679563) is 3-heptyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-heptyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-heptyl-4-hydroxy-1H-quinolin-2-one is CCCCCCCc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-heptyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is NPJSBHRVMHKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-4-5-6-10-13-15(18)12-9-7-8-11-14(12)17-16(13)19/h7-9,11H,2-6,10H2,1H3,(H2,17,18,19).
What are the key properties of 3-heptyl-4-hydroxy-1H-quinolin-2-one?
3-heptyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54679563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).