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

C23H19N3OS — CID 144824878

IUPAC5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C#Cc3sc(C)nc3C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H19N3OS/c1-4-21-25-19-12-8-9-17(13-14-20-15(2)24-16(3)28-20)22(19)23(27)26(21)18-10-6-5-7-11-18/h5-12H,4H2,1-3H3
InChIKeyBHYZXTHBSNVNMI-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.42
Rot. Bonds2

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

5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one (PubChem CID 144824878) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
PubChem CID144824878
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C#Cc3sc(C)nc3C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H19N3OS/c1-4-21-25-19-12-8-9-17(13-14-20-15(2)24-16(3)28-20)22(19)23(27)26(21)18-10-6-5-7-11-18/h5-12H,4H2,1-3H3
InChIKeyBHYZXTHBSNVNMI-UHFFFAOYSA-N
XLogP4.42
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.42
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-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 123948593
2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one
CID 144824441
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one
CID 144926817
3-ethyl-8-[2-(2-methyl-3-pyridinyl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824494
5-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508
2-ethyl-7-ethynyl-1-phenylbenzimidazole
CID 130236073
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
The IUPAC name of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one (CID 144824878) is 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
The canonical SMILES for 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one is CCc1nc2cccc(C#Cc3sc(C)nc3C)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
The InChIKey is BHYZXTHBSNVNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-4-21-25-19-12-8-9-17(13-14-20-15(2)24-16(3)28-20)22(19)23(27)26(21)18-10-6-5-7-11-18/h5-12H,4H2,1-3H3.
What are the key properties of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one?
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one has a molecular weight of 385.49 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 144824878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).