2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C14H13FN2O — CID 135453191

IUPAC2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2F)nc2c1CCCC2
InChIInChI=1S/C14H13FN2O/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,2,4,6,8H2,(H,16,17,18)
InChIKeyUZDWSPNYPWOMFS-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.45
Rot. Bonds1

About 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135453191) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135453191
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2F)nc2c1CCCC2
InChIInChI=1S/C14H13FN2O/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,2,4,6,8H2,(H,16,17,18)
InChIKeyUZDWSPNYPWOMFS-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 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135453191) is 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2F)nc2c1CCCC2.
What is the InChIKey of 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is UZDWSPNYPWOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/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,2,4,6,8H2,(H,16,17,18).
What are the key properties of 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-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 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135453191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).