5-decyl-2,3-dimethylquinazolin-4-one

C20H30N2O — CID 175348945

IUPAC5-decyl-2,3-dimethylquinazolin-4-one
SMILESCCCCCCCCCCc1cccc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C20H30N2O/c1-4-5-6-7-8-9-10-11-13-17-14-12-15-18-19(17)20(23)22(3)16(2)21-18/h12,14-15H,4-11,13H2,1-3H3
InChIKeyBIIZSTJKOUOAHA-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.93
Rot. Bonds9

About 5-decyl-2,3-dimethylquinazolin-4-one

5-decyl-2,3-dimethylquinazolin-4-one (PubChem CID 175348945) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 5-decyl-2,3-dimethylquinazolin-4-one.

Molecular Properties

Compound Name5-decyl-2,3-dimethylquinazolin-4-one
PubChem CID175348945
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name5-decyl-2,3-dimethylquinazolin-4-one
SMILESCCCCCCCCCCc1cccc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C20H30N2O/c1-4-5-6-7-8-9-10-11-13-17-14-12-15-18-19(17)20(23)22(3)16(2)21-18/h12,14-15H,4-11,13H2,1-3H3
InChIKeyBIIZSTJKOUOAHA-UHFFFAOYSA-N
XLogP4.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.93
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-decyl-2,3-dimethylquinazolin-4-one?
The IUPAC name of 5-decyl-2,3-dimethylquinazolin-4-one (CID 175348945) is 5-decyl-2,3-dimethylquinazolin-4-one.
What is the SMILES notation for 5-decyl-2,3-dimethylquinazolin-4-one?
The canonical SMILES for 5-decyl-2,3-dimethylquinazolin-4-one is CCCCCCCCCCc1cccc2nc(C)n(C)c(=O)c12.
What is the InChIKey of 5-decyl-2,3-dimethylquinazolin-4-one?
The InChIKey is BIIZSTJKOUOAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-5-6-7-8-9-10-11-13-17-14-12-15-18-19(17)20(23)22(3)16(2)21-18/h12,14-15H,4-11,13H2,1-3H3.
What are the key properties of 5-decyl-2,3-dimethylquinazolin-4-one?
5-decyl-2,3-dimethylquinazolin-4-one has a molecular weight of 314.47 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2,3-dimethylquinazolin-4-one is sourced from PubChem (CID 175348945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).