3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one

C19H18FN3O — CID 66503732

IUPAC3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one
SMILESCc1nn2cc3c(nc2c1-c1ccc(F)cc1)CC(C)(C)CC3=O
InChIInChI=1S/C19H18FN3O/c1-11-17(12-4-6-13(20)7-5-12)18-21-15-8-19(2,3)9-16(24)14(15)10-23(18)22-11/h4-7,10H,8-9H2,1-3H3
InChIKeyUELHIOFEKWILOT-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.00
Rot. Bonds1

About 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one

3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503732) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one
PubChem CID66503732
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one
SMILESCc1nn2cc3c(nc2c1-c1ccc(F)cc1)CC(C)(C)CC3=O
InChIInChI=1S/C19H18FN3O/c1-11-17(12-4-6-13(20)7-5-12)18-21-15-8-19(2,3)9-16(24)14(15)10-23(18)22-11/h4-7,10H,8-9H2,1-3H3
InChIKeyUELHIOFEKWILOT-UHFFFAOYSA-N
XLogP4.00
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one (CID 66503732) is 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one is Cc1nn2cc3c(nc2c1-c1ccc(F)cc1)CC(C)(C)CC3=O.
What is the InChIKey of 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is UELHIOFEKWILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-11-17(12-4-6-13(20)7-5-12)18-21-15-8-19(2,3)9-16(24)14(15)10-23(18)22-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one?
3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 323.37 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).