3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one

C24H18FN3O — CID 17038074

IUPAC3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1CCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C24H18FN3O/c25-18-10-11-19-17(15-26-22(19)14-18)12-13-28-23(16-6-2-1-3-7-16)27-21-9-5-4-8-20(21)24(28)29/h1-11,14-15,26H,12-13H2
InChIKeyVKYAJPCRWKMSQZ-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.93
Rot. Bonds4

About 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one

3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one (PubChem CID 17038074) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one
PubChem CID17038074
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1CCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C24H18FN3O/c25-18-10-11-19-17(15-26-22(19)14-18)12-13-28-23(16-6-2-1-3-7-16)27-21-9-5-4-8-20(21)24(28)29/h1-11,14-15,26H,12-13H2
InChIKeyVKYAJPCRWKMSQZ-UHFFFAOYSA-N
XLogP4.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
CID 135430569
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 71703213
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
CID 3053641
2-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42582267
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one (CID 17038074) is 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1CCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one?
The InChIKey is VKYAJPCRWKMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c25-18-10-11-19-17(15-26-22(19)14-18)12-13-28-23(16-6-2-1-3-7-16)27-21-9-5-4-8-20(21)24(28)29/h1-11,14-15,26H,12-13H2.
What are the key properties of 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one?
3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one has a molecular weight of 383.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 17038074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).