2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one

C22H15ClN4O — CID 90643971

IUPAC2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H15ClN4O/c1-26-21-12-19(14-4-7-17(23)8-5-14)25-27(21)20-11-15(6-9-18(20)22(26)28)16-3-2-10-24-13-16/h2-13H,1H3
InChIKeyNYEAFJGTAHWQKU-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.57
Rot. Bonds2

About 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one

2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90643971) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90643971
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H15ClN4O/c1-26-21-12-19(14-4-7-17(23)8-5-14)25-27(21)20-11-15(6-9-18(20)22(26)28)16-3-2-10-24-13-16/h2-13H,1H3
InChIKeyNYEAFJGTAHWQKU-UHFFFAOYSA-N
XLogP4.57
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (CID 90643971) is 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is NYEAFJGTAHWQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c1-26-21-12-19(14-4-7-17(23)8-5-14)25-27(21)20-11-15(6-9-18(20)22(26)28)16-3-2-10-24-13-16/h2-13H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 386.84 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90643971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).