3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C17H17FN2O2 — CID 166215044

IUPAC3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1cc(F)ccc1OC
InChIInChI=1S/C17H17FN2O2/c1-3-20-16(13-10-11(18)8-9-15(13)22-2)19-14-7-5-4-6-12(14)17(20)21/h4-10,16,19H,3H2,1-2H3
InChIKeyPQQSRVSXRVWPSS-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.42
Rot. Bonds3

About 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 166215044) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID166215044
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1cc(F)ccc1OC
InChIInChI=1S/C17H17FN2O2/c1-3-20-16(13-10-11(18)8-9-15(13)22-2)19-14-7-5-4-6-12(14)17(20)21/h4-10,16,19H,3H2,1-2H3
InChIKeyPQQSRVSXRVWPSS-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 138057442
3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778020
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
3-[(4-fluorophenyl)methyl]-2-(3-methoxy-2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 73334573
3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 51114892
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
(2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009148
(2S)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009221
(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007459
(2S)-3-(4-fluorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007309

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 166215044) is 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is CCN1C(=O)c2ccccc2NC1c1cc(F)ccc1OC.
What is the InChIKey of 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is PQQSRVSXRVWPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-3-20-16(13-10-11(18)8-9-15(13)22-2)19-14-7-5-4-6-12(14)17(20)21/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 300.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 166215044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).