5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one

C23H20N4O — CID 123948593

IUPAC5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C#Cc3cnn(C)c3C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-4-21-25-20-12-8-9-17(13-14-18-15-24-26(3)16(18)2)22(20)23(28)27(21)19-10-6-5-7-11-19/h5-12,15H,4H2,1-3H3
InChIKeyRPCUKGGOFCJSRO-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.39
Rot. Bonds2

About 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one

5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one (PubChem CID 123948593) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
PubChem CID123948593
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C#Cc3cnn(C)c3C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-4-21-25-20-12-8-9-17(13-14-18-15-24-26(3)16(18)2)22(20)23(28)27(21)19-10-6-5-7-11-19/h5-12,15H,4H2,1-3H3
InChIKeyRPCUKGGOFCJSRO-UHFFFAOYSA-N
XLogP3.39
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824894
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824878
2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one
CID 144824441
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
CID 144926925
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one
CID 145415578
2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one;1,6-naphthyridine-8-carboxamide
CID 144824937
2-amino-N-[1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanethiol
CID 144824445
1,4-dimethyl-5-N-prop-2-enylpyrazole-3,5-diamine;2-ethyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-3-phenylquinazolin-4-one;formamide
CID 144927025
2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one
CID 144926817

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
The IUPAC name of 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one (CID 123948593) is 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
The canonical SMILES for 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one is CCc1nc2cccc(C#Cc3cnn(C)c3C)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
The InChIKey is RPCUKGGOFCJSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-4-21-25-20-12-8-9-17(13-14-18-15-24-26(3)16(18)2)22(20)23(28)27(21)19-10-6-5-7-11-19/h5-12,15H,4H2,1-3H3.
What are the key properties of 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one has a molecular weight of 368.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 123948593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).