(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C21H17FN2O2 — CID 9007508

IUPAC(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c1-26-19-9-5-4-8-18(19)24-20(14-10-12-15(22)13-11-14)23-17-7-3-2-6-16(17)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyOETNJQCTGBBVHD-FQEVSTJZSA-N
MW348.38 g/mol
LogP4.61
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007508) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9007508
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c1-26-19-9-5-4-8-18(19)24-20(14-10-12-15(22)13-11-14)23-17-7-3-2-6-16(17)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyOETNJQCTGBBVHD-FQEVSTJZSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9007508) is (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is OETNJQCTGBBVHD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-26-19-9-5-4-8-18(19)24-20(14-10-12-15(22)13-11-14)23-17-7-3-2-6-16(17)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 348.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).