6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

C19H18F3N3O2 — CID 137028489

IUPAC6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESCCN(CC)c1ccc2nc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C19H18F3N3O2/c1-3-25(4-2)12-9-10-15-14(11-12)18(26)24-17(23-15)13-7-5-6-8-16(13)27-19(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24,26)
InChIKeyWBNNXZKHIUVBMW-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.33
Rot. Bonds5

About 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 137028489) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID137028489
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESCCN(CC)c1ccc2nc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C19H18F3N3O2/c1-3-25(4-2)12-9-10-15-14(11-12)18(26)24-17(23-15)13-7-5-6-8-16(13)27-19(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24,26)
InChIKeyWBNNXZKHIUVBMW-UHFFFAOYSA-N
XLogP4.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (CID 137028489) is 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is CCN(CC)c1ccc2nc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1.
What is the InChIKey of 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is WBNNXZKHIUVBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-3-25(4-2)12-9-10-15-14(11-12)18(26)24-17(23-15)13-7-5-6-8-16(13)27-19(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24,26).
What are the key properties of 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 377.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137028489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).