4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide

C25H19N3O2 — CID 10194183

IUPAC4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2cnc3ccc(C#CCc4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C25H19N3O2/c26-24(29)21-12-9-20(10-13-21)16-28-17-27-23-14-11-19(15-22(23)25(28)30)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,26,29)
InChIKeyIHAOAKQKZVQAQJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.14
Rot. Bonds4

About 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide

4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide (PubChem CID 10194183) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide
PubChem CID10194183
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2cnc3ccc(C#CCc4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C25H19N3O2/c26-24(29)21-12-9-20(10-13-21)16-28-17-27-23-14-11-19(15-22(23)25(28)30)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,26,29)
InChIKeyIHAOAKQKZVQAQJ-UHFFFAOYSA-N
XLogP3.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide with MolForge

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Related Compounds

3-(2-Amino-6-benzoylquinazolin-3(4H)-YL)-N-cyclohexyl-N-methylpropanamide
CID 16741238
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
3-(2-oxo-2-phenylethyl)-4(3H)-quinazolinone
CID 738365
4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide
CID 71811260
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
benzo[g]quinazolin-4(3H)-one
CID 135518939
3-Phenethyl-2-phenyl-3H-quinazolin-4-one
CID 947434
N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3(4H)-yl)propanamide
CID 975079
N-[2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]ethyl]acetamide
CID 8369085
3-[2-(2-naphthyl)-2-oxoethyl]-4(3H)-quinazolinone
CID 680336
3-[2-(3,4-Dimethyl-phenyl)-2-oxo-ethyl]-3H-quinazolin-4-one
CID 932622

Frequently Asked Questions

What is the IUPAC name of 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide?
The IUPAC name of 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide (CID 10194183) is 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide is NC(=O)c1ccc(Cn2cnc3ccc(C#CCc4ccccc4)cc3c2=O)cc1.
What is the InChIKey of 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide?
The InChIKey is IHAOAKQKZVQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c26-24(29)21-12-9-20(10-13-21)16-28-17-27-23-14-11-19(15-22(23)25(28)30)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,26,29).
What are the key properties of 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide?
4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide has a molecular weight of 393.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 10194183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).