3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

C19H15N5O — CID 70687848

IUPAC3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESC=Cn1cnc2ccc(-c3ccnn3-c3cccc(C)n3)cc2c1=O
InChIInChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
InChIKeyHDAOYJBJKHMXID-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.05
Rot. Bonds3

About 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (PubChem CID 70687848) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
PubChem CID70687848
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESC=Cn1cnc2ccc(-c3ccnn3-c3cccc(C)n3)cc2c1=O
InChIInChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
InChIKeyHDAOYJBJKHMXID-UHFFFAOYSA-N
XLogP3.05
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quinazolin-2-yl)-1,4-diazepan-1-yl)methanone
CID 24882716
1-[6-[3-(Dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157010569
6-[3-Ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]-3-methylquinazolin-4-one
CID 70683591
6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)quinazolin-4(3H)-one
CID 135947976
6-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]-3H-quinazolin-4-one
CID 136254194
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-[3,4-dioxo-1-phenyl-4-(prop-2-enylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53311527
N-[3,4-dioxo-1-phenyl-4-(propylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53311607
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-4-fluoro-N-methyl-benzamide
CID 56951292
3-Methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
CID 66561650

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The IUPAC name of 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (CID 70687848) is 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The canonical SMILES for 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is C=Cn1cnc2ccc(-c3ccnn3-c3cccc(C)n3)cc2c1=O.
What is the InChIKey of 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The InChIKey is HDAOYJBJKHMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3.
What are the key properties of 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is sourced from PubChem (CID 70687848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).