2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one

C15H10BrFN2O — CID 168553251

IUPAC2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(CBr)ccc2F)nc2ccccc12
InChIInChI=1S/C15H10BrFN2O/c16-8-9-5-6-12(17)11(7-9)14-18-13-4-2-1-3-10(13)15(20)19-14/h1-7H,8H2,(H,18,19,20)
InChIKeyGSWNHHYLHKMRAA-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.62
Rot. Bonds2

About 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one

2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one (PubChem CID 168553251) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
PubChem CID168553251
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(CBr)ccc2F)nc2ccccc12
InChIInChI=1S/C15H10BrFN2O/c16-8-9-5-6-12(17)11(7-9)14-18-13-4-2-1-3-10(13)15(20)19-14/h1-7H,8H2,(H,18,19,20)
InChIKeyGSWNHHYLHKMRAA-UHFFFAOYSA-N
XLogP3.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553364
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-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
CID 168553310
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410

Frequently Asked Questions

What is the IUPAC name of 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one (CID 168553251) is 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(CBr)ccc2F)nc2ccccc12.
What is the InChIKey of 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one?
The InChIKey is GSWNHHYLHKMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-8-9-5-6-12(17)11(7-9)14-18-13-4-2-1-3-10(13)15(20)19-14/h1-7H,8H2,(H,18,19,20).
What are the key properties of 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one?
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one has a molecular weight of 333.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168553251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).