3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one

C18H14N4O — CID 155594064

IUPAC3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESO=c1c2cc(-c3ccn[nH]3)ccc2ncn1Cc1ccccc1
InChIInChI=1S/C18H14N4O/c23-18-15-10-14(16-8-9-20-21-16)6-7-17(15)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
InChIKeyLBPQORPUUBGMMC-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.83
Rot. Bonds3

About 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one

3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one (PubChem CID 155594064) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one
PubChem CID155594064
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESO=c1c2cc(-c3ccn[nH]3)ccc2ncn1Cc1ccccc1
InChIInChI=1S/C18H14N4O/c23-18-15-10-14(16-8-9-20-21-16)6-7-17(15)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
InChIKeyLBPQORPUUBGMMC-UHFFFAOYSA-N
XLogP2.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 154815729
N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]methyl]-2-(dimethylamino)acetamide
CID 136218662
3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 154815730
2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136218660
2-[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136218661
2-methyl-3-[[(E)-[3-(4-methylphenyl)pyrazol-4-ylidene]methyl]amino]quinazolin-4-one
CID 135549728
2-methyl-3-{[(E)-(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}quinazolin-4(3H)-one
CID 135628194
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 129052097
2-[(1R)-1-amino-2-[3-(trifluoromethyl)phenyl]ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894301
3-amino-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]methyl]propanamide
CID 135894303
3-(aminomethyl)-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]methyl]benzamide
CID 135894304

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one?
The IUPAC name of 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one (CID 155594064) is 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one is O=c1c2cc(-c3ccn[nH]3)ccc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one?
The InChIKey is LBPQORPUUBGMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-15-10-14(16-8-9-20-21-16)6-7-17(15)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21).
What are the key properties of 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one?
3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one has a molecular weight of 302.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 155594064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).