2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one

C15H8Cl2F3N3O — CID 162645255

IUPAC2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8Cl2F3N3O/c16-8-4-9(17)6-10(5-8)21-14-22-12-3-7(15(18,19)20)1-2-11(12)13(24)23-14/h1-6H,(H2,21,22,23,24)
InChIKeyGTCWHIATCWSMKM-UHFFFAOYSA-N
MW374.15 g/mol
LogP4.99
Rot. Bonds2

About 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one

2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 162645255) has the molecular formula C15H8Cl2F3N3O and a molecular weight of 374.15 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID162645255
Molecular FormulaC15H8Cl2F3N3O
Molecular Weight374.15 g/mol
Exact Mass373.00
IUPAC Name2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8Cl2F3N3O/c16-8-4-9(17)6-10(5-8)21-14-22-12-3-7(15(18,19)20)1-2-11(12)13(24)23-14/h1-6H,(H2,21,22,23,24)
InChIKeyGTCWHIATCWSMKM-UHFFFAOYSA-N
XLogP4.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.15
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one (CID 162645255) is 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one is O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is GTCWHIATCWSMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3O/c16-8-4-9(17)6-10(5-8)21-14-22-12-3-7(15(18,19)20)1-2-11(12)13(24)23-14/h1-6H,(H2,21,22,23,24).
What are the key properties of 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one?
2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 374.15 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 162645255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).