3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one

C17H23NO2 — CID 44531991

IUPAC3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCCCCCc1c(C)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C17H23NO2/c1-4-5-6-7-8-14-12(2)18-16-11-13(20-3)9-10-15(16)17(14)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyGANLVBOFJDFJOO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.97
Rot. Bonds6

About 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one

3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 44531991) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID44531991
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCCCCCc1c(C)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C17H23NO2/c1-4-5-6-7-8-14-12(2)18-16-11-13(20-3)9-10-15(16)17(14)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyGANLVBOFJDFJOO-UHFFFAOYSA-N
XLogP3.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
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-7-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one (CID 44531991) is 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one is CCCCCCc1c(C)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is GANLVBOFJDFJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-5-6-7-8-14-12(2)18-16-11-13(20-3)9-10-15(16)17(14)19/h9-11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one?
3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 273.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-7-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 44531991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).