3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

C19H14FN3O — CID 15557555

IUPAC3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccnc2)N1c1ccccc1F
InChIInChI=1S/C19H14FN3O/c20-15-8-2-4-10-17(15)23-18(13-6-5-11-21-12-13)22-16-9-3-1-7-14(16)19(23)24/h1-12,18,22H
InChIKeyHYKSADLCCCMLKW-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.99
Rot. Bonds2

About 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 15557555) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID15557555
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccnc2)N1c1ccccc1F
InChIInChI=1S/C19H14FN3O/c20-15-8-2-4-10-17(15)23-18(13-6-5-11-21-12-13)22-16-9-3-1-7-14(16)19(23)24/h1-12,18,22H
InChIKeyHYKSADLCCCMLKW-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (CID 15557555) is 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccnc2)N1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is HYKSADLCCCMLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-15-8-2-4-10-17(15)23-18(13-6-5-11-21-12-13)22-16-9-3-1-7-14(16)19(23)24/h1-12,18,22H.
What are the key properties of 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 319.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 15557555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).