2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one

C19H11F2N3O — CID 168553364

IUPAC2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(-c3ccc(F)nc3)ccc2F)nc2ccccc12
InChIInChI=1S/C19H11F2N3O/c20-15-7-5-11(12-6-8-17(21)22-10-12)9-14(15)18-23-16-4-2-1-3-13(16)19(25)24-18/h1-10H,(H,23,24,25)
InChIKeyOIZHLVJNSJJPSZ-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.93
Rot. Bonds2

About 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one

2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168553364) has the molecular formula C19H11F2N3O and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one
PubChem CID168553364
Molecular FormulaC19H11F2N3O
Molecular Weight335.31 g/mol
Exact Mass335.09
IUPAC Name2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(-c3ccc(F)nc3)ccc2F)nc2ccccc12
InChIInChI=1S/C19H11F2N3O/c20-15-7-5-11(12-6-8-17(21)22-10-12)9-14(15)18-23-16-4-2-1-3-13(16)19(25)24-18/h1-10H,(H,23,24,25)
InChIKeyOIZHLVJNSJJPSZ-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553345
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one (CID 168553364) is 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(-c3ccc(F)nc3)ccc2F)nc2ccccc12.
What is the InChIKey of 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is OIZHLVJNSJJPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O/c20-15-7-5-11(12-6-8-17(21)22-10-12)9-14(15)18-23-16-4-2-1-3-13(16)19(25)24-18/h1-10H,(H,23,24,25).
What are the key properties of 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 335.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168553364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).