5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one

C20H18N2O — CID 144824418

IUPAC5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
SMILESCCC#Cc1cccc2nc(CC)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C20H18N2O/c1-3-5-10-15-11-9-14-17-19(15)20(23)22(18(4-2)21-17)16-12-7-6-8-13-16/h6-9,11-14H,3-4H2,1-2H3
InChIKeyNPTMKZNYBHQACB-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.71
Rot. Bonds2

About 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one

5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one (PubChem CID 144824418) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
PubChem CID144824418
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
SMILESCCC#Cc1cccc2nc(CC)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C20H18N2O/c1-3-5-10-15-11-9-14-17-19(15)20(23)22(18(4-2)21-17)16-12-7-6-8-13-16/h6-9,11-14H,3-4H2,1-2H3
InChIKeyNPTMKZNYBHQACB-UHFFFAOYSA-N
XLogP3.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 123948593
5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824894
8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-aminopyrazine-2-carboxamide;N-[4-(2-ethyl-4-oxo-3-phenylquinazolin-5-yl)but-3-ynyl]prop-2-enamide
CID 144926830
2-amino-N-[1-(5-but-1-ynyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123362208
2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one
CID 144926817
5-(3-hydroxyprop-1-ynyl)-3-phenyl-2-propylquinazolin-4-one;5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine-4,6-diamine
CID 142624431
5-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508

Frequently Asked Questions

What is the IUPAC name of 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one?
The IUPAC name of 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one (CID 144824418) is 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one?
The canonical SMILES for 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one is CCC#Cc1cccc2nc(CC)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one?
The InChIKey is NPTMKZNYBHQACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-5-10-15-11-9-14-17-19(15)20(23)22(18(4-2)21-17)16-12-7-6-8-13-16/h6-9,11-14H,3-4H2,1-2H3.
What are the key properties of 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one?
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one has a molecular weight of 302.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 144824418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).