3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C17H16FN3O — CID 1447956

IUPAC3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1ccc(F)cc1)CCCC3
InChIInChI=1S/C17H16FN3O/c1-10-15(11-6-8-12(18)9-7-11)16-19-14-5-3-2-4-13(14)17(22)21(16)20-10/h6-9,20H,2-5H2,1H3
InChIKeyRLVAUZRACRMJHB-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.02
Rot. Bonds1

About 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 1447956) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID1447956
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1ccc(F)cc1)CCCC3
InChIInChI=1S/C17H16FN3O/c1-10-15(11-6-8-12(18)9-7-11)16-19-14-5-3-2-4-13(14)17(22)21(16)20-10/h6-9,20H,2-5H2,1H3
InChIKeyRLVAUZRACRMJHB-UHFFFAOYSA-N
XLogP3.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 1447956) is 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is Cc1[nH]n2c(=O)c3c(nc2c1-c1ccc(F)cc1)CCCC3.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is RLVAUZRACRMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-10-15(11-6-8-12(18)9-7-11)16-19-14-5-3-2-4-13(14)17(22)21(16)20-10/h6-9,20H,2-5H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 297.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 1447956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).