(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one

C18H17F3N2O3 — CID 25415336

IUPAC(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-25-11-10-23-16(22-15-5-3-2-4-14(15)17(23)24)12-6-8-13(9-7-12)26-18(19,20)21/h2-9,16,22H,10-11H2,1H3/t16-/m1/s1
InChIKeyGWTVNGGIDOADJB-MRXNPFEDSA-N
MW366.34 g/mol
LogP3.80
Rot. Bonds5

About (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one

(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 25415336) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID25415336
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-25-11-10-23-16(22-15-5-3-2-4-14(15)17(23)24)12-6-8-13(9-7-12)26-18(19,20)21/h2-9,16,22H,10-11H2,1H3/t16-/m1/s1
InChIKeyGWTVNGGIDOADJB-MRXNPFEDSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 25415336) is (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is GWTVNGGIDOADJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-25-11-10-23-16(22-15-5-3-2-4-14(15)17(23)24)12-6-8-13(9-7-12)26-18(19,20)21/h2-9,16,22H,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 366.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 25415336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).