2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide

C18H14F3N3O3 — CID 25158721

IUPAC2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c2c1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)12-3-1-2-11(6-12)8-24-10-22-15-5-4-13(23-16(26)9-25)7-14(15)17(24)27/h1-7,10,25H,8-9H2,(H,23,26)
InChIKeyNGHKQFVTHZKHMA-UHFFFAOYSA-N
MW377.32 g/mol
LogP2.39
Rot. Bonds4

About 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide

2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide (PubChem CID 25158721) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide
PubChem CID25158721
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c2c1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)12-3-1-2-11(6-12)8-24-10-22-15-5-4-13(23-16(26)9-25)7-14(15)17(24)27/h1-7,10,25H,8-9H2,(H,23,26)
InChIKeyNGHKQFVTHZKHMA-UHFFFAOYSA-N
XLogP2.39
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide (CID 25158721) is 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide is O=C(CO)Nc1ccc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c2c1.
What is the InChIKey of 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide?
The InChIKey is NGHKQFVTHZKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)12-3-1-2-11(6-12)8-24-10-22-15-5-4-13(23-16(26)9-25)7-14(15)17(24)27/h1-7,10,25H,8-9H2,(H,23,26).
What are the key properties of 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide?
2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide has a molecular weight of 377.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]acetamide is sourced from PubChem (CID 25158721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).