8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one

C18H14N4O2 — CID 136608400

IUPAC8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one
SMILESCc1c(-c2cc(O)c3nc[nH]c(=O)c3c2)cnn1-c1ccccc1
InChIInChI=1S/C18H14N4O2/c1-11-15(9-21-22(11)13-5-3-2-4-6-13)12-7-14-17(16(23)8-12)19-10-20-18(14)24/h2-10,23H,1H3,(H,19,20,24)
InChIKeyBZJLSPXLJQDOSR-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.79
Rot. Bonds2

About 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one

8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 136608400) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID136608400
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one
SMILESCc1c(-c2cc(O)c3nc[nH]c(=O)c3c2)cnn1-c1ccccc1
InChIInChI=1S/C18H14N4O2/c1-11-15(9-21-22(11)13-5-3-2-4-6-13)12-7-14-17(16(23)8-12)19-10-20-18(14)24/h2-10,23H,1H3,(H,19,20,24)
InChIKeyBZJLSPXLJQDOSR-UHFFFAOYSA-N
XLogP2.79
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one (CID 136608400) is 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one is Cc1c(-c2cc(O)c3nc[nH]c(=O)c3c2)cnn1-c1ccccc1.
What is the InChIKey of 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is BZJLSPXLJQDOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-11-15(9-21-22(11)13-5-3-2-4-6-13)12-7-14-17(16(23)8-12)19-10-20-18(14)24/h2-10,23H,1H3,(H,19,20,24).
What are the key properties of 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one?
8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 318.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136608400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).