2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one

C19H16ClFN2O — CID 155671981

IUPAC2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2nc(-c2ccccc2Cl)n1C1CCCC1
InChIInChI=1S/C19H16ClFN2O/c20-16-8-4-3-7-14(16)18-22-17-11-12(21)9-10-15(17)19(24)23(18)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2
InChIKeyKEEHKIJOHCBWDA-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.97
Rot. Bonds2

About 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one

2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one (PubChem CID 155671981) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one
PubChem CID155671981
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2nc(-c2ccccc2Cl)n1C1CCCC1
InChIInChI=1S/C19H16ClFN2O/c20-16-8-4-3-7-14(16)18-22-17-11-12(21)9-10-15(17)19(24)23(18)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2
InChIKeyKEEHKIJOHCBWDA-UHFFFAOYSA-N
XLogP4.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one (CID 155671981) is 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one is O=c1c2ccc(F)cc2nc(-c2ccccc2Cl)n1C1CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one?
The InChIKey is KEEHKIJOHCBWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-16-8-4-3-7-14(16)18-22-17-11-12(21)9-10-15(17)19(24)23(18)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2.
What are the key properties of 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one?
2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one has a molecular weight of 342.80 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one is sourced from PubChem (CID 155671981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).