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

C23H18N4O — CID 90643963

IUPAC4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1
InChIInChI=1S/C23H18N4O/c1-15-5-3-6-17(11-15)20-13-22-26(2)23(28)19-9-8-16(12-21(19)27(22)25-20)18-7-4-10-24-14-18/h3-14H,1-2H3
InChIKeyFCRIVGSDJJARHL-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.22
Rot. Bonds2

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

4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90643963) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90643963
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1
InChIInChI=1S/C23H18N4O/c1-15-5-3-6-17(11-15)20-13-22-26(2)23(28)19-9-8-16(12-21(19)27(22)25-20)18-7-4-10-24-14-18/h3-14H,1-2H3
InChIKeyFCRIVGSDJJARHL-UHFFFAOYSA-N
XLogP4.22
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Unc1999
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Gpd-1116
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B-Raf IN 1
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2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
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[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
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N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
[3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118470985
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (CID 90643963) is 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one is Cc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1.
What is the InChIKey of 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is FCRIVGSDJJARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-5-3-6-17(11-15)20-13-22-26(2)23(28)19-9-8-16(12-21(19)27(22)25-20)18-7-4-10-24-14-18/h3-14H,1-2H3.
What are the key properties of 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 366.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90643963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).