4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile

C18H12N4O — CID 140671591

IUPAC4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile
SMILESCn1c(=O)c2ccc(C#N)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C18H12N4O/c1-21-17-10-15(13-5-3-2-4-6-13)20-22(17)16-9-12(11-19)7-8-14(16)18(21)23/h2-10H,1H3
InChIKeyLGUUUDAEDIAXQO-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.72
Rot. Bonds1

About 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile

4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile (PubChem CID 140671591) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile
PubChem CID140671591
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile
SMILESCn1c(=O)c2ccc(C#N)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C18H12N4O/c1-21-17-10-15(13-5-3-2-4-6-13)20-22(17)16-9-12(11-19)7-8-14(16)18(21)23/h2-10H,1H3
InChIKeyLGUUUDAEDIAXQO-UHFFFAOYSA-N
XLogP2.72
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
CID 90681336
3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
CID 90643970
4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile
CID 143438272
3-(5-methyl-7-oxo-2-phenylpyrazolo[1,5-a]pyrimidin-4-yl)propanenitrile
CID 35433291
10-(4,6-diphenylpyrimidin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-4,16-dicarbonitrile
CID 164529101
2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile
CID 170551418
4-[(2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]benzonitrile
CID 11162871
2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
CID 118710916
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
4-(5-chloro-3-phenylpyrazol-1-yl)benzonitrile
CID 66020965
8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
CID 72546132
3-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155014674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile?
The IUPAC name of 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile (CID 140671591) is 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile.
What is the SMILES notation for 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile?
The canonical SMILES for 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile is Cn1c(=O)c2ccc(C#N)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile?
The InChIKey is LGUUUDAEDIAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c1-21-17-10-15(13-5-3-2-4-6-13)20-22(17)16-9-12(11-19)7-8-14(16)18(21)23/h2-10H,1H3.
What are the key properties of 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile?
4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile is sourced from PubChem (CID 140671591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).