4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one

C18H13FN2O — CID 46196978

IUPAC4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)-c1ccccc1CC2
InChIInChI=1S/C18H13FN2O/c19-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)21-18(22)20-16/h1-6,8-9H,7,10H2,(H,20,21,22)
InChIKeyRVBPATIILPFKMU-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.34
Rot. Bonds1

About 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one

4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one (PubChem CID 46196978) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one
PubChem CID46196978
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)-c1ccccc1CC2
InChIInChI=1S/C18H13FN2O/c19-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)21-18(22)20-16/h1-6,8-9H,7,10H2,(H,20,21,22)
InChIKeyRVBPATIILPFKMU-UHFFFAOYSA-N
XLogP3.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one (CID 46196978) is 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one is O=c1nc(-c2ccc(F)cc2)c2c([nH]1)-c1ccccc1CC2.
What is the InChIKey of 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one?
The InChIKey is RVBPATIILPFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)21-18(22)20-16/h1-6,8-9H,7,10H2,(H,20,21,22).
What are the key properties of 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one?
4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one has a molecular weight of 292.31 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5,6-dihydro-1H-benzo[h]quinazolin-2-one is sourced from PubChem (CID 46196978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).