2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one

C17H13ClN4O2 — CID 3625258

IUPAC2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cn[nH]c2-c2ccc(Cl)cc2)N1O
InChIInChI=1S/C17H13ClN4O2/c18-11-7-5-10(6-8-11)15-13(9-19-21-15)16-20-14-4-2-1-3-12(14)17(23)22(16)24/h1-9,16,20,24H,(H,19,21)
InChIKeyOOYSLGQXDWEJJM-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.69
Rot. Bonds2

About 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one

2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one (PubChem CID 3625258) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one
PubChem CID3625258
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cn[nH]c2-c2ccc(Cl)cc2)N1O
InChIInChI=1S/C17H13ClN4O2/c18-11-7-5-10(6-8-11)15-13(9-19-21-15)16-20-14-4-2-1-3-12(14)17(23)22(16)24/h1-9,16,20,24H,(H,19,21)
InChIKeyOOYSLGQXDWEJJM-UHFFFAOYSA-N
XLogP3.69
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one (CID 3625258) is 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cn[nH]c2-c2ccc(Cl)cc2)N1O.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
The InChIKey is OOYSLGQXDWEJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-11-7-5-10(6-8-11)15-13(9-19-21-15)16-20-14-4-2-1-3-12(14)17(23)22(16)24/h1-9,16,20,24H,(H,19,21).
What are the key properties of 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one?
2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one has a molecular weight of 340.77 g/mol, XLogP of 3.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-hydroxy-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3625258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).