2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one

C19H19FN2O2 — CID 168551050

IUPAC2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
SMILESCCCCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1F
InChIInChI=1S/C19H19FN2O2/c1-2-3-6-11-24-17-12-13(9-10-15(17)20)18-21-16-8-5-4-7-14(16)19(23)22-18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,22,23)
InChIKeyXUOIDKCESTXSSX-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one

2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168551050) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
PubChem CID168551050
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
SMILESCCCCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1F
InChIInChI=1S/C19H19FN2O2/c1-2-3-6-11-24-17-12-13(9-10-15(17)20)18-21-16-8-5-4-7-14(16)19(23)22-18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,22,23)
InChIKeyXUOIDKCESTXSSX-UHFFFAOYSA-N
XLogP4.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
CID 168552283
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-fluoro-4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551226
2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551953
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one (CID 168551050) is 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one is CCCCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is XUOIDKCESTXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-3-6-11-24-17-12-13(9-10-15(17)20)18-21-16-8-5-4-7-14(16)19(23)22-18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one?
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 326.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).