8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

C21H22N4O2 — CID 72546132

IUPAC8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOCCc1cc2n(C)c(=O)c3ccc(-c4cc(C)nc(C)c4)cc3n2n1
InChIInChI=1S/C21H22N4O2/c1-13-9-16(10-14(2)22-13)15-5-6-18-19(11-15)25-20(24(3)21(18)26)12-17(23-25)7-8-27-4/h5-6,9-12H,7-8H2,1-4H3
InChIKeyPUCLMFSRRXLMPL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.05
Rot. Bonds4

About 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 72546132) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID72546132
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOCCc1cc2n(C)c(=O)c3ccc(-c4cc(C)nc(C)c4)cc3n2n1
InChIInChI=1S/C21H22N4O2/c1-13-9-16(10-14(2)22-13)15-5-6-18-19(11-15)25-20(24(3)21(18)26)12-17(23-25)7-8-27-4/h5-6,9-12H,7-8H2,1-4H3
InChIKeyPUCLMFSRRXLMPL-UHFFFAOYSA-N
XLogP3.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one (CID 72546132) is 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one is COCCc1cc2n(C)c(=O)c3ccc(-c4cc(C)nc(C)c4)cc3n2n1.
What is the InChIKey of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is PUCLMFSRRXLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-9-16(10-14(2)22-13)15-5-6-18-19(11-15)25-20(24(3)21(18)26)12-17(23-25)7-8-27-4/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 362.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 72546132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).