7-fluoro-3-methoxy-2-nonylquinazolin-4-one

C18H25FN2O2 — CID 155544701

IUPAC7-fluoro-3-methoxy-2-nonylquinazolin-4-one
SMILESCCCCCCCCCc1nc2cc(F)ccc2c(=O)n1OC
InChIInChI=1S/C18H25FN2O2/c1-3-4-5-6-7-8-9-10-17-20-16-13-14(19)11-12-15(16)18(22)21(17)23-2/h11-13H,3-10H2,1-2H3
InChIKeyONIYPMUXFYKKEW-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.89
Rot. Bonds9

About 7-fluoro-3-methoxy-2-nonylquinazolin-4-one

7-fluoro-3-methoxy-2-nonylquinazolin-4-one (PubChem CID 155544701) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 7-fluoro-3-methoxy-2-nonylquinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-methoxy-2-nonylquinazolin-4-one
PubChem CID155544701
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name7-fluoro-3-methoxy-2-nonylquinazolin-4-one
SMILESCCCCCCCCCc1nc2cc(F)ccc2c(=O)n1OC
InChIInChI=1S/C18H25FN2O2/c1-3-4-5-6-7-8-9-10-17-20-16-13-14(19)11-12-15(16)18(22)21(17)23-2/h11-13H,3-10H2,1-2H3
InChIKeyONIYPMUXFYKKEW-UHFFFAOYSA-N
XLogP3.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-fluoro-3-methoxy-2-nonylquinazolin-4-one?
The IUPAC name of 7-fluoro-3-methoxy-2-nonylquinazolin-4-one (CID 155544701) is 7-fluoro-3-methoxy-2-nonylquinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-methoxy-2-nonylquinazolin-4-one?
The canonical SMILES for 7-fluoro-3-methoxy-2-nonylquinazolin-4-one is CCCCCCCCCc1nc2cc(F)ccc2c(=O)n1OC.
What is the InChIKey of 7-fluoro-3-methoxy-2-nonylquinazolin-4-one?
The InChIKey is ONIYPMUXFYKKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-4-5-6-7-8-9-10-17-20-16-13-14(19)11-12-15(16)18(22)21(17)23-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 7-fluoro-3-methoxy-2-nonylquinazolin-4-one?
7-fluoro-3-methoxy-2-nonylquinazolin-4-one has a molecular weight of 320.41 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methoxy-2-nonylquinazolin-4-one is sourced from PubChem (CID 155544701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).