6-methyl-3-octylquinazolin-4-one

C17H24N2O — CID 53232145

IUPAC6-methyl-3-octylquinazolin-4-one
SMILESCCCCCCCCn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-8-11-19-13-18-16-10-9-14(2)12-15(16)17(19)20/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyPOXIZHSPCNQABP-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.07
Rot. Bonds7

About 6-methyl-3-octylquinazolin-4-one

6-methyl-3-octylquinazolin-4-one (PubChem CID 53232145) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-methyl-3-octylquinazolin-4-one.

Molecular Properties

Compound Name6-methyl-3-octylquinazolin-4-one
PubChem CID53232145
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name6-methyl-3-octylquinazolin-4-one
SMILESCCCCCCCCn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-8-11-19-13-18-16-10-9-14(2)12-15(16)17(19)20/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyPOXIZHSPCNQABP-UHFFFAOYSA-N
XLogP4.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
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 6-methyl-3-octylquinazolin-4-one?
The IUPAC name of 6-methyl-3-octylquinazolin-4-one (CID 53232145) is 6-methyl-3-octylquinazolin-4-one.
What is the SMILES notation for 6-methyl-3-octylquinazolin-4-one?
The canonical SMILES for 6-methyl-3-octylquinazolin-4-one is CCCCCCCCn1cnc2ccc(C)cc2c1=O.
What is the InChIKey of 6-methyl-3-octylquinazolin-4-one?
The InChIKey is POXIZHSPCNQABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-7-8-11-19-13-18-16-10-9-14(2)12-15(16)17(19)20/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 6-methyl-3-octylquinazolin-4-one?
6-methyl-3-octylquinazolin-4-one has a molecular weight of 272.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-octylquinazolin-4-one is sourced from PubChem (CID 53232145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).