2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one

C14H11FN2O — CID 4789050

IUPAC2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C14H11FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)
InChIKeyTVPPBWCYGUMJAW-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.68
Rot. Bonds1

About 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 4789050) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID4789050
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C14H11FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)
InChIKeyTVPPBWCYGUMJAW-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Quinazolinedione
CID 64048
Ketanserin
CID 3822
Altanserin
CID 3033677
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 220188
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
2-Mercapto-4(3H)-quinazolinone
CID 683940
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
Glycosmicine
CID 11788
Diacylglycerol Kinase Inhibitor Ii
CID 657356

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 4789050) is 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccc(F)cc2)Nc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is TVPPBWCYGUMJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 242.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 4789050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).