3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C18H16FN3O2 — CID 17190742

IUPAC3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOCc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)CCC3
InChIInChI=1S/C18H16FN3O2/c1-24-10-14-17(11-5-7-12(19)8-6-11)18-20-9-13-15(22(18)21-14)3-2-4-16(13)23/h5-9H,2-4,10H2,1H3
InChIKeyHQUSFHWUPRUIOB-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.20
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 17190742) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID17190742
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOCc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)CCC3
InChIInChI=1S/C18H16FN3O2/c1-24-10-14-17(11-5-7-12(19)8-6-11)18-20-9-13-15(22(18)21-14)3-2-4-16(13)23/h5-9H,2-4,10H2,1H3
InChIKeyHQUSFHWUPRUIOB-UHFFFAOYSA-N
XLogP3.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 17190742) is 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is COCc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)CCC3.
What is the InChIKey of 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is HQUSFHWUPRUIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-10-14-17(11-5-7-12(19)8-6-11)18-20-9-13-15(22(18)21-14)3-2-4-16(13)23/h5-9H,2-4,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 325.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(methoxymethyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 17190742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).