2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

C24H18ClN3O2 — CID 90681341

IUPAC2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5cccc(Cl)c5)nn4c3c2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-27-23-14-21(17-4-3-5-18(25)12-17)26-28(23)22-13-16(8-11-20(22)24(27)29)15-6-9-19(30-2)10-7-15/h3-14H,1-2H3
InChIKeyBTDWCHIFRNAVIB-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.18
Rot. Bonds3

About 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90681341) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90681341
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5cccc(Cl)c5)nn4c3c2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-27-23-14-21(17-4-3-5-18(25)12-17)26-28(23)22-13-16(8-11-20(22)24(27)29)15-6-9-19(30-2)10-7-15/h3-14H,1-2H3
InChIKeyBTDWCHIFRNAVIB-UHFFFAOYSA-N
XLogP5.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one (CID 90681341) is 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one is COc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5cccc(Cl)c5)nn4c3c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is BTDWCHIFRNAVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-27-23-14-21(17-4-3-5-18(25)12-17)26-28(23)22-13-16(8-11-20(22)24(27)29)15-6-9-19(30-2)10-7-15/h3-14H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 415.88 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90681341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).