6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one

C14H8ClFN2O — CID 4564737

IUPAC6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccccc2F)c2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H8ClFN2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19)
InChIKeyHKOOFQWBQATOSD-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.38
Rot. Bonds1

About 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one

6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one (PubChem CID 4564737) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one
PubChem CID4564737
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccccc2F)c2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H8ClFN2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19)
InChIKeyHKOOFQWBQATOSD-UHFFFAOYSA-N
XLogP3.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one?
The IUPAC name of 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one (CID 4564737) is 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one is O=c1nc(-c2ccccc2F)c2cc(Cl)ccc2[nH]1.
What is the InChIKey of 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one?
The InChIKey is HKOOFQWBQATOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19).
What are the key properties of 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one?
6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one has a molecular weight of 274.68 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluorophenyl)-1H-quinazolin-2-one is sourced from PubChem (CID 4564737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).