5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one

C17H15FN2O3 — CID 178046218

IUPAC5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one
SMILESCOCCOc1cc(F)c2c(=O)[nH]c(-c3ccccc3)nc2c1
InChIInChI=1S/C17H15FN2O3/c1-22-7-8-23-12-9-13(18)15-14(10-12)19-16(20-17(15)21)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20,21)
InChIKeyLJMBWZUMBQZLKA-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.75
Rot. Bonds5

About 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one

5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one (PubChem CID 178046218) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one
PubChem CID178046218
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one
SMILESCOCCOc1cc(F)c2c(=O)[nH]c(-c3ccccc3)nc2c1
InChIInChI=1S/C17H15FN2O3/c1-22-7-8-23-12-9-13(18)15-14(10-12)19-16(20-17(15)21)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20,21)
InChIKeyLJMBWZUMBQZLKA-UHFFFAOYSA-N
XLogP2.75
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
3-[2-[2-[2-[2-[2-[2-[3-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 156823805
5,6,7,8-tetrafluoro-2-phenyl-3H-quinazolin-4-one
CID 136864383
2-[4-(2-anilinoethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 136642583
6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one
CID 136601897
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine
CID 84816368

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one?
The IUPAC name of 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one (CID 178046218) is 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one is COCCOc1cc(F)c2c(=O)[nH]c(-c3ccccc3)nc2c1.
What is the InChIKey of 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one?
The InChIKey is LJMBWZUMBQZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-22-7-8-23-12-9-13(18)15-14(10-12)19-16(20-17(15)21)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one?
5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one has a molecular weight of 314.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 178046218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).