4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C14H13FN2O — CID 19780233

IUPAC4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)CCCC2
InChIInChI=1S/C14H13FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-14(18)17-13/h5-8H,1-4H2,(H,16,17,18)
InChIKeyRJTXSNVKDUKBIX-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.45
Rot. Bonds1

About 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 19780233) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID19780233
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)CCCC2
InChIInChI=1S/C14H13FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-14(18)17-13/h5-8H,1-4H2,(H,16,17,18)
InChIKeyRJTXSNVKDUKBIX-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 19780233) is 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is O=c1nc(-c2ccc(F)cc2)c2c([nH]1)CCCC2.
What is the InChIKey of 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is RJTXSNVKDUKBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16-14(18)17-13/h5-8H,1-4H2,(H,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 244.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 19780233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).