2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one

C14H11FN2O — CID 135461169

IUPAC2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2F)nc2c1C=CCC2
InChIInChI=1S/C14H11FN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-3,5-7H,4,8H2,(H,16,17,18)
InChIKeyNJTARLFSOZYTDM-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one

2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one (PubChem CID 135461169) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one
PubChem CID135461169
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2F)nc2c1C=CCC2
InChIInChI=1S/C14H11FN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-3,5-7H,4,8H2,(H,16,17,18)
InChIKeyNJTARLFSOZYTDM-UHFFFAOYSA-N
XLogP2.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 135418940
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2-Phenylpyrimidine-4,6-diol
CID 241011
2-Phenylpyrimidin-4-ol
CID 259156
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
Mls000766271
CID 135431331
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one (CID 135461169) is 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2F)nc2c1C=CCC2.
What is the InChIKey of 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one?
The InChIKey is NJTARLFSOZYTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-3,5-7H,4,8H2,(H,16,17,18).
What are the key properties of 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one?
2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one has a molecular weight of 242.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one is sourced from PubChem (CID 135461169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).