3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one

C19H27NO2 — CID 162656868

IUPAC3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one
SMILESCCCCCCCCc1cccc2[nH]c(C)c(OC)c(=O)c12
InChIInChI=1S/C19H27NO2/c1-4-5-6-7-8-9-11-15-12-10-13-16-17(15)18(21)19(22-3)14(2)20-16/h10,12-13H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyAZKSRCSNOOYLKR-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.75
Rot. Bonds8

About 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one

3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one (PubChem CID 162656868) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one
PubChem CID162656868
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one
SMILESCCCCCCCCc1cccc2[nH]c(C)c(OC)c(=O)c12
InChIInChI=1S/C19H27NO2/c1-4-5-6-7-8-9-11-15-12-10-13-16-17(15)18(21)19(22-3)14(2)20-16/h10,12-13H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyAZKSRCSNOOYLKR-UHFFFAOYSA-N
XLogP4.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.75
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-methoxy-2-methyl-5-octyl-1H-quinolin-4-one?
The IUPAC name of 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one (CID 162656868) is 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one.
What is the SMILES notation for 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one?
The canonical SMILES for 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one is CCCCCCCCc1cccc2[nH]c(C)c(OC)c(=O)c12.
What is the InChIKey of 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one?
The InChIKey is AZKSRCSNOOYLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-5-6-7-8-9-11-15-12-10-13-16-17(15)18(21)19(22-3)14(2)20-16/h10,12-13H,4-9,11H2,1-3H3,(H,20,21).
What are the key properties of 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one?
3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one has a molecular weight of 301.43 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one is sourced from PubChem (CID 162656868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).