2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one

C24H19N3O — CID 14843023

IUPAC2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1
InChIInChI=1S/C24H19N3O/c28-24-20-11-5-7-13-22(20)26-23(27(24)18-8-2-1-3-9-18)15-14-17-16-25-21-12-6-4-10-19(17)21/h1-13,16,25H,14-15H2
InChIKeyGLXYQAPWRKPVQF-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.65
Rot. Bonds4

About 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one

2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one (PubChem CID 14843023) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one
PubChem CID14843023
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1
InChIInChI=1S/C24H19N3O/c28-24-20-11-5-7-13-22(20)26-23(27(24)18-8-2-1-3-9-18)15-14-17-16-25-21-12-6-4-10-19(17)21/h1-13,16,25H,14-15H2
InChIKeyGLXYQAPWRKPVQF-UHFFFAOYSA-N
XLogP4.65
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Acetylindole
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1H-indole-3-carboxamide
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N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
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N-(1-Adamantyl)-1-pentyl-1H-indole-3-carboxamide
CID 71308155
5-Fluoro CUMYL-PICA
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4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Slv-310
CID 9888211
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CID 34863

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one (CID 14843023) is 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one?
The InChIKey is GLXYQAPWRKPVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c28-24-20-11-5-7-13-22(20)26-23(27(24)18-8-2-1-3-9-18)15-14-17-16-25-21-12-6-4-10-19(17)21/h1-13,16,25H,14-15H2.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one?
2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one has a molecular weight of 365.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 14843023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).