2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one

C17H12N4O — CID 168553065

IUPAC2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2-n2cccn2)nc2ccccc12
InChIInChI=1S/C17H12N4O/c22-17-12-6-1-3-8-14(12)19-16(20-17)13-7-2-4-9-15(13)21-11-5-10-18-21/h1-11H,(H,19,20,22)
InChIKeyISSBZBFDLFRNBC-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.78
Rot. Bonds2

About 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one

2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one (PubChem CID 168553065) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
PubChem CID168553065
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2-n2cccn2)nc2ccccc12
InChIInChI=1S/C17H12N4O/c22-17-12-6-1-3-8-14(12)19-16(20-17)13-7-2-4-9-15(13)21-11-5-10-18-21/h1-11H,(H,19,20,22)
InChIKeyISSBZBFDLFRNBC-UHFFFAOYSA-N
XLogP2.78
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one (CID 168553065) is 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2-n2cccn2)nc2ccccc12.
What is the InChIKey of 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one?
The InChIKey is ISSBZBFDLFRNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-12-6-1-3-8-14(12)19-16(20-17)13-7-2-4-9-15(13)21-11-5-10-18-21/h1-11H,(H,19,20,22).
What are the key properties of 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one?
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one has a molecular weight of 288.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).